AG00CHCP

37934-89-7 | Benzoic acid, 4-​methoxy-​2,​6-​dimethyl-

AG00CHCP

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CAS Number	37934-89-7
Catalog Number	AG00CHCP(AGN-PC-0JWHNK)
Chemical Name	Benzoic acid, 4-​methoxy-​2,​6-​dimethyl-
IUPAC Name	4-methoxy-2,6-dimethylbenzoic acid
InChI	InChI=1S/C10H12O3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key	GFWRERVOFRPXKB-UHFFFAOYSA-N
MDL Number	MFCD01194287
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	C(=O)(O)c1c(C)cc(cc1C)OC
Synonyms	2,6-DIMETHYL-4-METHOXYBENZOIC ACID, 37934-89-7, 4-methoxy-2,6-dimethylbenzoic acid, 4-methoxy-2,6-dimethylbenzoicacid, 2,6-Dimethyl-4-methoxybenzoicacid, AC1LG7PJ, AC1Q5TGG, AB-131/25126040, SCHEMBL484746, CTK4H9041, GFWRERVOFRPXKB-UHFFFAOYSA-N, ZINC330110, ANW-69262, CL9112, MFCD01194287, SBB017704, 4-methoxy-2,6-dimethyl-benzoic acid, AKOS004907092, Benzoic acid,4-methoxy-2,6-dimethyl-, Benzoic acid, 4-methoxy-2,6-dimethyl-, AJ-19284, AK-34925, DS-12314, AB0042677, TC-158007, FT-0736850, ST24038862, Z0560, J3.552.673K, Q-8104, C10H12O3, AR-1G3051, CID816764, 38206-97-2,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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