AG00BY5B

42113-13-3 | 4-Hydroxy-3-methyl-benzoic acid methyl ester

AG00BY5B

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CAS Number	42113-13-3
Catalog Number	AG00BY5B(AGN-PC-0052N1)
Chemical Name	4-Hydroxy-3-methyl-benzoic acid methyl ester
IUPAC Name	methyl 4-hydroxy-3-methylbenzoate
InChI	InChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3
InChI Key	QBMHMOKIFSCFCX-UHFFFAOYSA-N
MDL Number	MFCD06203848
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=C(OC)C1=CC=C(O)C(C)=C1
Synonyms	METHYL 4-HYDROXY-3-METHYLBENZOATE, 42113-13-3, 4-Hydroxy-3-methyl-benzoic acid methyl ester, QBMHMOKIFSCFCX-UHFFFAOYSA-N, 4-hydroxy-3-methylbenzoic acid methyl ester, Methyl 4-hydroxy-3-methyl-benzoate, SCHEMBL172476, CTK4I5718, DTXSID60459737, ALBB-013959, methyl 3-methyl-4-oxidanyl-benzoate, ANW-48010, CL8573, MFCD06203848, ZINC21303598, AKOS005174516, CS-W005275, GS-3000, MCULE-2756789462, KS-00000O54, AJ-78447, AK-78928, BC205258, BR-78928, DA-17853, SC-88417, 3-methyl-4-hydroxybenzoic acid methyl ester, AB0008606, ST2413411, TC-136755, TL8007248, 4CH-016401, FT-0768993, 4-Hydroxy-3-methylbenzoic acid, methyl ester, M-2900, benzoic acid, 4-hydroxy-3-methyl-, methyl ester, A825767, C9H10O3, CID11240684,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H412
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number