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88980-13-6 | 6-Hepten-2-ol, (2S)-
CAS No: 88980-13-6 Catalog No: AG0045KF MDL No:
Product Description
Catalog Number:
AG0045KF
Chemical Name:
6-Hepten-2-ol, (2S)-
CAS Number:
88980-13-6
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
(2S)-hept-6-en-2-ol
InChI:
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3,7-8H,1,4-6H2,2H3/t7-/m0/s1
InChI Key:
RVXLYPSYVXXSQE-ZETCQYMHSA-N
SMILES:
C=CCCC[C@@H](O)C
Properties
Complexity:
59.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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