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87777-45-5 | 4-Hepten-3-ol, 4-methyl-, (E)-
CAS No: 87777-45-5 Catalog No: AG004KYV MDL No:
Product Description
Catalog Number:
AG004KYV
Chemical Name:
4-Hepten-3-ol, 4-methyl-, (E)-
CAS Number:
87777-45-5
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
IUPAC Name:
4-methylhept-4-en-3-ol
InChI:
InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3
InChI Key:
CVBRKUMLJLIZGY-UHFFFAOYSA-N
SMILES:
CC/C=C(/C(CC)O)\C
Properties
Complexity:
94.7
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:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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