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827325-03-1 | 3,5-Hexadien-1-ol, 5-phenyl-, (3E)-
CAS No: 827325-03-1 Catalog No: AG00586Q MDL No:
Product Description
Catalog Number:
AG00586Q
Chemical Name:
3,5-Hexadien-1-ol, 5-phenyl-, (3E)-
CAS Number:
827325-03-1
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
5-phenylhexa-3,5-dien-1-ol
InChI:
InChI=1S/C12H14O/c1-11(7-5-6-10-13)12-8-3-2-4-9-12/h2-5,7-9,13H,1,6,10H2
InChI Key:
YZXKWLFZISVQGW-UHFFFAOYSA-N
SMILES:
OCC/C=C/C(=C)c1ccccc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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