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100840-12-8 | 1,5-Hexadien-3-ol, 3-methyl-1-phenyl-, (1E)-
CAS No: 100840-12-8 Catalog No: AG000302 MDL No:
Product Description
Catalog Number:
AG000302
Chemical Name:
1,5-Hexadien-3-ol, 3-methyl-1-phenyl-, (1E)-
CAS Number:
100840-12-8
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
3-methyl-1-phenylhexa-1,5-dien-3-ol
InChI:
InChI=1S/C13H16O/c1-3-10-13(2,14)11-9-12-7-5-4-6-8-12/h3-9,11,14H,1,10H2,2H3
InChI Key:
BXMXCBXRCIPSMO-UHFFFAOYSA-N
SMILES:
C=CCC(/C=C/c1ccccc1)(O)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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