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Molecule
NSC 401136
CAS: 620-92-8 · C13H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 620-92-8
- Molecular Formula
- C13H12O2
- Molecular Mass
- 200.24 g/mol
Identifiers
CAS Registry Number
620-92-8
SMILES
Oc1ccc(Cc2ccc(O)cc2)cc1
InChI Key
PXKLMJQFEQBVLD-UHFFFAOYSA-N
InChI
InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
Names and Synonyms
- NSC 401136 Synonym
- Bisphenol F Synonym
- Phenol, 4,4′-methylenebis- Synonym
- Phenol, 4,4′-methylenedi- Synonym
- Phenol, p,p′-methylenedi- Synonym
- 4,4′-Methylenebis[phenol] Synonym
- Bis(p-hydroxyphenyl)methane Synonym
- Bis(4-hydroxyphenyl)methane Synonym
- 4,4′-Methylenediphenol Synonym
- 4,4′-Dihydroxydiphenylmethane Synonym
- p-(p-Hydroxybenzyl)phenol Synonym
- HDM Synonym
- 4,4′-Bis(hydroxyphenyl)methane Synonym
- Bisphenol F Synonym
- PP-BIP-F Synonym
- 1,1-Bis(4-hydroxyphenyl)methane Synonym
- p,p′-BPF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.24 g/mol | CAS Common Chemistry |
| 200.23700000000002 g/mol | RDKit | |
| 200.237 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bisphenol_F | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C(C=C1)CC2=CC=C(O)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PXKLMJQFEQBVLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162.5 °C | CAS Common Chemistry |
| Name | Bis(4-hydroxyphenyl)methane | CAS Common Chemistry |
| Bisphenol F | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 2.688600000000001 | RDKit |
| 2.6886 | RDKit | |
| Molar Refractivity | 59.01960000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 200.083729624 g/mol | RDKit |
| Boiling Point | 237-243 °C @ 12-13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 200.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H12O2.
