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87998-00-3 | 1,6-Heptadien-4-ol, 4-(3-chloropropyl)-
CAS No: 87998-00-3 Catalog No: AG004NYM MDL No:
Product Description
Catalog Number:
AG004NYM
Chemical Name:
1,6-Heptadien-4-ol, 4-(3-chloropropyl)-
CAS Number:
87998-00-3
Molecular Formula:
C10H17ClO
Molecular Weight:
188.6944
IUPAC Name:
4-(3-chloropropyl)hepta-1,6-dien-4-ol
InChI:
InChI=1S/C10H17ClO/c1-3-6-10(12,7-4-2)8-5-9-11/h3-4,12H,1-2,5-9H2
InChI Key:
OKVCPDRNKPGVPX-UHFFFAOYSA-N
SMILES:
ClCCCC(CC=C)(CC=C)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.097g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.695g/mol
Monoisotopic Mass:
188.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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