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87995-44-6 | 1,5-Heptadien-4-ol, 4-ethoxy-
CAS No: 87995-44-6 Catalog No: AG004O7N MDL No:
Product Description
Catalog Number:
AG004O7N
Chemical Name:
1,5-Heptadien-4-ol, 4-ethoxy-
CAS Number:
87995-44-6
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
4-ethoxyhepta-1,5-dien-4-ol
InChI:
InChI=1S/C9H16O2/c1-4-7-9(10,8-5-2)11-6-3/h4-5,8,10H,1,6-7H2,2-3H3
InChI Key:
QCXOZPDIRCPOIM-UHFFFAOYSA-N
SMILES:
C=CCC(C=CC)(OCC)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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