AG003JR6

18729-48-1 | 3-Methylcyclopentanol

AG003JR6

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CAS Number	18729-48-1
Catalog Number	AG003JR6(AGN-PC-0A6ATA)
Chemical Name	3-Methylcyclopentanol
EC Number	242-540-1
IUPAC Name	3-methylcyclopentan-1-ol
InChI	InChI=1S/C6H12O/c1-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3
InChI Key	VEALHWXMCIRWGC-UHFFFAOYSA-N
MDL Number	MFCD00001368
Molecular Formula	C6H12O
Molecular Weight	100.1589
SMILES	OC1CC(C)CC1
Synonyms	3-Methylcyclopentanol, 18729-48-1, 3-methylcyclopentan-1-ol, Cyclopentanol, 3-methyl-, VEALHWXMCIRWGC-UHFFFAOYSA-N, 3-Methylcyclopentanol, mixture of isomers, 3-Methyl-1-cyclopentanol, EINECS 242-540-1, 3-Methylcyclopentanol, mixed isomers, Cyclopentanol,3-methyl-, AC1L3CAZ, ACMC-1C3KN, 3-methylcyclopentyl alcohol, AC1Q2QT7, AC1Q79VB, SCHEMBL181737, CTK4D9497, GEO-01804, MFCD00001368, AKOS005255219, MCULE-7892602703, NE59176, DA-08875, 3-Methylcyclopentanol a mixture of isomers, TC-169485, FT-0608059, 3-Methylcyclopentanol, mixture of isomers, 99%, J-012054, I14-50036, Z1623891804, C6-H12-O, CID86785, AR-1F4450, ZINC05735728, 190-87-4,

Complexity	61.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	100.089g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	100.161g/mol
Monoisotopic Mass	100.089g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226
Packing Group	Ⅲ
Precautionary statements	P210-P403+P235
UN Code	UN 1987

Certificate of Analysis

Lot Number