AG003HP1

3761-94-2 | 1-Methylcycloheptanol

AG003HP1

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CAS Number	3761-94-2
Catalog Number	AG003HP1(AGN-PC-0JLQNJ)
Chemical Name	1-Methylcycloheptanol
EC Number	223-179-9
IUPAC Name	1-methylcycloheptan-1-ol
InChI	InChI=1S/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H3
InChI Key	XFFKAYOHINCUNU-UHFFFAOYSA-N
MDL Number	MFCD00021672
Molecular Formula	C8H16O
Molecular Weight	128.2120
NSC Number	100735
SMILES	CC1(O)CCCCCC1
Synonyms	1-Methylcycloheptanol, 3761-94-2, 1-Methylcycloheptan-1-ol, Cycloheptanol, 1-methyl-, 1-Methylcycloheptanol-1, XFFKAYOHINCUNU-UHFFFAOYSA-N, MFCD00021672, EINECS 223-179-9, NSC100735, Methylcycloheptanol-1, 1-methyl cycloheptanol, 1-methyl-cycloheptanol, Cycloheptanol,1-methyl-, AC1L2SX4, AC1Q77VW, SCHEMBL353978, CTK4H8508, DTXSID70191050, ZINC4578939, AKOS009158338, MCULE-5108307354, NE10825, NSC-100735, FT-0608026, ST50409616, Z1744661625, InChI=1/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H, 2-METHYLCARBAZOLE, C8-H16-O, CID77376, AR-1C4684, 3970-59-0,

Complexity	80.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.12g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.215g/mol
Monoisotopic Mass	128.12g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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