AG003LRO

452-86-8 | 4-Methylbenzene-1,2-diol

AG003LRO

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CAS Number	452-86-8
Catalog Number	AG003LRO(AGN-PC-0C5TKQ)
Chemical Name	4-Methylbenzene-1,2-diol
EC Number	207-214-5
IUPAC Name	4-methylbenzene-1,2-diol
InChI	InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
InChI Key	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
MDL Number	MFCD00002205
Molecular Formula	C7H8O2
Molecular Weight	124.1372
NSC Number	17489
SMILES	OC1=CC=C(C)C=C1O
UNII	12GLI7JGB3
Synonyms	3,4-dihydroxytoluene, 4-methylcatechol, 4-Methylcatechol, 452-86-8, 4-methylbenzene-1,2-diol, 3,4-Dihydroxytoluene, Homocatechol, p-Methylcatechol, 4-Methyl-1,2-benzenediol, 4-METHYLPYROCATECHOL, Homopyrocatechol, 1,2-Dihydroxy-4-methylbenzene, p-Methylpyrocatechol, Toluene-3,4-diol, 1,2-Benzenediol, 4-methyl-, 4-Methyl-1,2-dihydroxybenzene, Pyrocatechol, 4-methyl-, 5-methylcatechol, 2-Hydroxy-4-methylphenol, UNII-12GLI7JGB3, NSC 17489, CCRIS 3333, CHEBI:17254, EINECS 207-214-5, BRN 0636512, 12GLI7JGB3, 1-Methyl-3,4-dihydroxybenzene, ZBCATMYQYDCTIZ-UHFFFAOYSA-N, MFCD00002205, 4-Methylcatechol, 98%, 4-Methylcatehol, 4-Metylcatechol, 4-methyl catechol, 4-methyl-catechol, 4-methyl pyrocatechol, 4-methyl-Pyrocatechol, 4k7n, AC1Q7ABV, DSSTox_CID_861, ACMC-209k1x, bmse000475, Epitope ID:150928, AC1L1U6N, DSSTox_RID_75831, DSSTox_GSID_20861, SCHEMBL12388, 4-Methylcatechol, >=95%, KSC490K8N, MLS001066329, 4-Methylbenzene-1,2-diol #, 1,2-dihydroxy-5-methylbenzene, CHEMBL158766, DTXSID5020861, 4-methyl-1,2-dihydroxy benzene, CTK3J0586, KS-00000JE6, NSC17489, Tox21_200632, ANW-30259, c0126, NSC-17489, SBB061372, ZINC13512210, AKOS000121479, 1,2-Benzenediol, 4-methyl- (9CI), AS07054, CS-W013530, DB04120, HY-W012814, LS-1269, MCULE-3649506114, RTR-032979, TRA0071015, NCGC00248773-01, NCGC00258186-01, AC-12438, AK163402, AN-44991, AS-11944, BC204625, CAS-452-86-8, SC-46405, SMR000471857, AB0011051, TR-032979, FT-0618974, M0413, ST24043912, ST51047392, AZ0001-0502, C06730, I01-2899, W-106144, F0001-1227, InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H, 1, 4-methyl-, 2-Deoxy-2-fluoroglycerol, C7H8O2, CID9958, C7-H8-O2, AR-1G8999, 4-Methylcatechol, 98% - 100G 100g, 4-06-00-05878 (Beilstein Handbook Reference), C018599, MCT, 4871-72-1,

Complexity	92.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.052g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	124.139g/mol
Monoisotopic Mass	124.052g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number