AG0010IK

13231-81-7 | 1-Hexanol, 3-methyl-

AG0010IK

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CAS Number	13231-81-7
Catalog Number	AG0010IK(AGN-PC-004TN0)
Chemical Name	1-Hexanol, 3-methyl-
IUPAC Name	3-methylhexan-1-ol
InChI	InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3
InChI Key	YGZVAQICDGBHMD-UHFFFAOYSA-N
MDL Number	MFCD01321178
Molecular Formula	C7H16O
Molecular Weight	116.2013
SMILES	CCCC(C)CCO
Synonyms	3-METHYL-1-HEXANOL, 13231-81-7, 3-methylhexan-1-ol, 1-Hexanol, 3-methyl-, 3-methylhexanol, ACMC-1CUWW, AC1L19RF, SCHEMBL497428, CTK0H8010, YGZVAQICDGBHMD-UHFFFAOYSA-N, ANW-19425, MFCD01321178, AKOS009157982, RT-001480, M1246, C7-H16-O, CID25793,

Complexity	43.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	116.12g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	116.204g/mol
Monoisotopic Mass	116.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H227
Packing Group
Precautionary statements	P501-P210-P280-P370+P378-P403+P235
UN Code

Certificate of Analysis

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