5-Benzyl-2-hydroxybenzoic acid

CAT: 0926-EAA38641-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-EAA38641-01Size:50 mg

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CAS Number

4386-41-8

MDL Number

MFCD08059184

Smiles

C1=CC=C (C=C1) CC2=CC (=C (C=C2) O) C (=O) O

Molecular Formula

C14H12O3

Molecular Weight

228.24 g/mol

Controlled

Chemical Information

5-Benzyl-2-hydroxybenzoic acid

CAS Number	4386-41-8
PubChem CID	22256263
IUPAC Name	5-benzyl-2-hydroxybenzoic acid
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	4.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	258

SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C14H12O3/c15-13-7-6-11(9-12(13)14(16)17)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2,(H,16,17)

InChIKey

AFIMKCDXMUVHON-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4386-41-8

CID: 22256263

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
SAA24313-01	5-Chlorosulfonyl-2-hydroxybenzoic acid
QEA17523-01	5- (Dimethylsulfamoyl) -2-hydroxybenzoic acid
BAA85523-01	5-Cyclohexyl-2-hydroxybenzoic acid
AAA05127-01	5-Ethyl-2-hydroxybenzoic acid
KAA43557-01	5-Cyano-2-hydroxybenzoic acid
ZDA22329-01	5-Azido-2-hydroxybenzoic acid
RCA30616-01	5- (Diethylsulfamoyl) -2-hydroxybenzoic acid
RAA09444-01	5- (Benzyloxy) -2-hydroxybenzoic acid
FC55540-01	2-Chloro-5-hydroxybenzoic acid
FB55614-01	2-Bromo-5-hydroxybenzoic acid

Catalog	Name
A22672-01	2-Amino-5-hydroxybenzoic acid
230165-01	2-Chloro-5-hydroxybenzoic acid
TRC-B594193-10MG	5-(Benzyloxy)-2-Hydroxybenzoic Acid
RG-E141485-01	5-Chloro-2-hydroxybenzoic acid
TRC-B619405-2.5G	2-Bromo-5-hydroxybenzoic acid
OR400616-01	5-Cyano-2-hydroxybenzoic acid
OR926276-01	5-Ethyl-2-hydroxybenzoic acid
sc-350204	5- (aminosulfonyl) -2-hydroxybenzoic acid
PC3756F-01	5-Fluoro-2-hydroxybenzoic acid
280031-01	2-Hexanamido-5-Hydroxybenzoic Acid