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19781-77-2 | Hept-6-en-3-ol
CAS No: 19781-77-2 Catalog No: AG002B3N MDL No:
Product Description
Catalog Number:
AG002B3N
Chemical Name:
Hept-6-en-3-ol
CAS Number:
19781-77-2
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
hept-6-en-3-ol
InChI:
InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3,7-8H,1,4-6H2,2H3
InChI Key:
XFXWEAWJVWCOBF-UHFFFAOYSA-N
SMILES:
CCC(CCC=C)O
Properties
Complexity:
59.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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