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89179-22-6 | 3,6-Heptadien-2-ol, (E)-
CAS No: 89179-22-6 Catalog No: AG003WL1 MDL No:
Product Description
Catalog Number:
AG003WL1
Chemical Name:
3,6-Heptadien-2-ol, (E)-
CAS Number:
89179-22-6
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
hepta-3,6-dien-2-ol
InChI:
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3,5-8H,1,4H2,2H3
InChI Key:
CRFUBNRBRCLIIV-UHFFFAOYSA-N
SMILES:
CC(/C=C/CC=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:
1.5
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