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89634-48-0 | 1,5-Heptadien-3-ol, (Z)-
CAS No: 89634-48-0 Catalog No: AG003WJ4 MDL No:
Product Description
Catalog Number:
AG003WJ4
Chemical Name:
1,5-Heptadien-3-ol, (Z)-
CAS Number:
89634-48-0
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
hepta-1,5-dien-3-ol
InChI:
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h3-5,7-8H,2,6H2,1H3
InChI Key:
CPGDYOFWPOGTGF-UHFFFAOYSA-N
SMILES:
C/C=C\CC(C=C)O
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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