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1892-00-8 | 6-Hepten-1-ol, 6-methyl-
CAS No: 1892-00-8 Catalog No: AG002I1X MDL No:
Product Description
Catalog Number:
AG002I1X
Chemical Name:
6-Hepten-1-ol, 6-methyl-
CAS Number:
1892-00-8
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
6-methylhept-6-en-1-ol
InChI:
InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChI Key:
AYZDUQJSEYAYTG-UHFFFAOYSA-N
SMILES:
OCCCCCC(=C)C
Properties
Complexity:
76.6
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:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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