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79972-54-6 | 1,6-Heptadien-3-ol, 6-methyl-
CAS No: 79972-54-6 Catalog No: AG005EU6 MDL No:
Product Description
Catalog Number:
AG005EU6
Chemical Name:
1,6-Heptadien-3-ol, 6-methyl-
CAS Number:
79972-54-6
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
6-methylhepta-1,6-dien-3-ol
InChI:
InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h4,8-9H,1-2,5-6H2,3H3
InChI Key:
INSRWNOFDDRAKZ-UHFFFAOYSA-N
SMILES:
C=CC(CCC(=C)C)O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/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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