3- (Hydroxymethyl) benzoic acid

CAT: 0127-OR345068-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR345068-01Size:1 g

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CAS Number

28286-79-5

MDL Number

MFCD06208242

Purity

98%

Smiles

OCc1cccc(c1)C(=O)O

Chemical Information

Benzoic acid, 3-(hydroxymethyl)-

CAS Number	28286-79-5
PubChem CID	185629
IUPAC Name	3-(hydroxymethyl)benzoic acid
Molecular Formula	C8H8O3
Molecular Weight	152.15
XLogP	0.8
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

C1=CC(=CC(=C1)C(=O)O)CO

InChI

InChI=1S/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey

UOKBFIOAEPCADP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28286-79-5

CID: 185629

Formula: C8H8O3

MW: 152.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.15
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	152.047344113
Monoisotopic Mass	152.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
OR350195-01	4- (Hydroxymethyl) benzoic Acid
OR947220-01	2- (Hydroxymethyl) benzoic acid
BUP18151	2-hydroxymethyl benzoic acid
PC501619-01	3-Fluoro-5- (hydroxymethyl) benzoic acid
OR1072985-01	3-Hydroxy-4- (hydroxymethyl) benzoic acid
PC501598-01	3-Fluoro-4- (hydroxymethyl) benzoic acid
OR470740-01	3-Chloro-5- (hydroxymethyl) benzoic acid
OR400933	3-Bromo-5- (hydroxymethyl) benzoic acid
PC1007673-01	3,5-Difluoro-4- (hydroxymethyl) benzoic acid
OR83001-01	2-Chloro-4- (hydroxymethyl) benzoic acid

Catalog	Name
C6664-500	2-hydroxymethyl benzoic acid
FH47324-01	4- (Hydroxymethyl) benzoic acid
TRC-H825540-1G	4-(Hydroxymethyl)benzoic Acid
Q-1185.0025	4-Hydroxymethyl-benzoic acid
RG-H250478-01	2- (Hydroxymethyl) Benzoic Acid
280117-01	3- (Hydroxymethyl) benzoic acid
HY-W019358R-01	2-Hydroxymethyl benzoic acid (Standard)
231445-01	3- (Hydroxymethyl) benzoic acid ≥97%
HY-W017384R-01	4- (Hydroxymethyl) benzoic acid (Standard)
FH70263-01	4- (Hydroxymethyl) benzoic acid methyl ester