AG003INC

28026-96-2 | 3,5-Dihydroxy-4-methylbenzoic acid

AG003INC

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CAS Number	28026-96-2
Catalog Number	AG003INC(AGN-PC-0KKG6K)
Chemical Name	3,5-Dihydroxy-4-methylbenzoic acid
IUPAC Name	3,5-dihydroxy-4-methylbenzoic acid
InChI	InChI=1S/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12)
InChI Key	KMRRXSZDSGYLCD-UHFFFAOYSA-N
MDL Number	MFCD00002514
Molecular Formula	C8H8O4
Molecular Weight	168.1467
SMILES	CC1=C(O)C=C(C=C1O)C(O)=O
Synonyms	3,5-Dihydroxy-4-methylbenzoic acid, 28026-96-2, 3,5-DIHYDROXY-P-TOLUIC ACID, MFCD00002514, Benzoic acid, 3,5-dihydroxy-4-methyl-, 4-METHYL-3,5-DIHYDROXY BENZOIC ACID, 3,5-dihydroxy-4-methyl-benzoic Acid, PubChem3868, AC1MCNRD, ACMC-20a50j, PARAGOS 440034, SCHEMBL1919748, CTK4G0655, DTXSID90372708, KMRRXSZDSGYLCD-UHFFFAOYSA-N, 3,5-dihydroxy4-methylbenzoic acid, ZINC157336, ANW-57425, CM-166, FCH917313, SBB063984, AKOS004903511, AS01213, Benzoic acid,3,5-dihydroxy-4-methyl-, MCULE-5444497653, VZ25785, ACM28026962, AC-11757, AJ-14993, AK-87165, AS-17353, BC203422, CC-13558, OR345066, SC-58106, U695, AB0019406, AX8006415, DB-047321, TC-146170, TL8002237, 4CH-021390, D4712, FT-0614616, ST24041237, ST50407062, 3,5-Dihydroxy-4-methylbenzoic acid, AldrichCPR, 026D962, C-04997, I01-3554, InChI=1/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12, C8H8O4, 4-Methyl-3,5-dihydroxybenzoic acid, 3,5-Dihydroxy-4-methyl benzoic acid, CID2748045,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	168.148g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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