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92581-12-9 | 1,6-Heptadien-4-ol, 4-(2-phenylethenyl)-
CAS No: 92581-12-9 Catalog No: AG006GMT MDL No:
Product Description
Catalog Number:
AG006GMT
Chemical Name:
1,6-Heptadien-4-ol, 4-(2-phenylethenyl)-
CAS Number:
92581-12-9
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
4-(2-phenylethenyl)hepta-1,6-dien-4-ol
InChI:
InChI=1S/C15H18O/c1-3-11-15(16,12-4-2)13-10-14-8-6-5-7-9-14/h3-10,13,16H,1-2,11-12H2
InChI Key:
LNQTWWDXPHHJHS-UHFFFAOYSA-N
SMILES:
C=CCC(C=Cc1ccccc1)(CC=C)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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