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Molecule
N-(3-Hydroxyphenyl)Urea
CAS: 701-82-6 · C7H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 701-82-6
- Molecular Formula
- C7H8N2O2
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
701-82-6
SMILES
N=C(O)Nc1cccc(O)c1
InChI Key
IPRCBIWIPMJXIK-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11)
Names and Synonyms
- N-(3-Hydroxyphenyl)Urea Common Name
- Urea, N-(3-hydroxyphenyl)- Synonym
- Urea, (m-hydroxyphenyl)- Synonym
- Urea, (3-hydroxyphenyl)- Synonym
- N-(3-Hydroxyphenyl)urea Synonym
- (3-Hydroxyphenyl)urea Synonym
- m-Hydroxyphenylurea Synonym
- 3-Ureidophenol Synonym
- 1-(3-Hydroxyphenyl)urea Synonym
- NSC 14672 Synonym
- NSC 60733 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NC=1C=CC=C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c8-7(11)9-5-2-1-3-6(10)4-5/h1-4,10H,(H3,8,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=IPRCBIWIPMJXIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(3-Hydroxyphenyl)urea | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 76.34 Ų | RDKit |
| LogP | 1.2968699999999997 | RDKit |
| 1.2969 | RDKit | |
| Molar Refractivity | 42.08500000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.058577496 g/mol | RDKit |
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 = 152.15 g/mol. Edit any field — others recompute live.
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