3,4-Dihydroxybenzophenone

CAS: 10425-11-3 | C13H10O3

2D Structure

Loading 3D structure...

CAS Registry Number

10425-11-3

SMILES

O=C(c1ccccc1)c1ccc(O)c(O)c1

InChI Key

ARWCZKJISXFBGI-UHFFFAOYSA-N

InChI

InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	214.22 g/mol	CAS Common Chemistry
Canonical SMILES	O=C(C=1C=CC=CC1)C2=CC=C(O)C(O)=C2	CAS Common Chemistry
InChI	InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H	CAS Common Chemistry
InChI Key	InChIKey=ARWCZKJISXFBGI-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	134 °C	CAS Common Chemistry
Name	3,4-Dihydroxybenzophenone	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	57.53 Å²	RDKit
LogP	2.328800000000001	RDKit
	2.3288	RDKit
Molar Refractivity	59.646100000000025 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	214.06299418 g/mol	RDKit

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.

Other compounds with formula C13H10O3.