AG00BCAA

28286-79-5 | 3-(HYDROXYMETHYL)-BENZOIC ACID

AG00BCAA

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	28286-79-5
Catalog Number	AG00BCAA(AGN-PC-0JNILW)
Chemical Name	3-(HYDROXYMETHYL)-BENZOIC ACID
IUPAC Name	3-(hydroxymethyl)benzoic acid
InChI	InChI=1S/C8H8O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,9H,5H2,(H,10,11)
InChI Key	UOKBFIOAEPCADP-UHFFFAOYSA-N
MDL Number	MFCD06208242
Molecular Formula	C8H8O3
Molecular Weight	152.1473
SMILES	OCC1=CC=CC(=C1)C(O)=O
Synonyms	3-(hydroxymethyl)benzoic acid, 28286-79-5, 3-(HYDROXYMETHYL)-BENZOIC ACID, 3-Hydroxymethyl-benzoic acid, Benzoic acid, 3-(hydroxymethyl)-, 3-(HYDROXYMETHYL)-BENZOICACID, 3-Hydroxymethylbenzoic acid, Benzoic acid,3-(hydroxymethyl)-, AC1Q5TNR, AC1Q7BYP, AC1L4H8J, 3-hydroxymethyl benzoic acid, SCHEMBL129182, CTK4G1159, DTXSID80182535, UOKBFIOAEPCADP-UHFFFAOYSA-N, ALBB-018626, KS-00003T2G, ZINC6092332, ANW-72550, MFCD06208242, SBB086826, AKOS008124378, 3-(hydroxymethyl)benzenecarboxylic acid, AN-5806, MCULE-3866798280, AJ-55732, AK-34506, BC211729, SC-43806, SY110718, TS-02012, DB-081484, TC-161295, CS-0067117, FT-0649484, X8078, EN300-56953, MFCD06208242 (95%), A-7535, A822041, J-510881, 3-methylolbenzoic acid, C8H8O3, 2-methoxypyridine-4-carbonitrile, AR-1E7779, CID185629, ACN-048364, AE-562/43286921, 34014-18-1,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.047g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	152.149g/mol
Monoisotopic Mass	152.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number