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89358-17-8 | 4-Pentene-1,2-diol, 2-phenyl-
CAS No: 89358-17-8 Catalog No: AG003X64 MDL No:
Product Description
Catalog Number:
AG003X64
Chemical Name:
4-Pentene-1,2-diol, 2-phenyl-
CAS Number:
89358-17-8
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
2-phenylpent-4-ene-1,2-diol
InChI:
InChI=1S/C11H14O2/c1-2-8-11(13,9-12)10-6-4-3-5-7-10/h2-7,12-13H,1,8-9H2
InChI Key:
YESNHEUZAHZGNW-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccc1)(CO)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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