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13231-81-7 | 1-Hexanol, 3-methyl-
CAS No: 13231-81-7 Catalog No: AG0010IK MDL No:MFCD01321178
Product Description
Catalog Number:
AG0010IK
Chemical Name:
1-Hexanol, 3-methyl-
CAS Number:
13231-81-7
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
MDL Number:
MFCD01321178
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
SMILES:
CCCC(CCO)C
Properties
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
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