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188481-67-6 | 3-Butene-1,2-diol, 3-phenyl-
CAS No: 188481-67-6 Catalog No: AG002GWO MDL No:
Product Description
Catalog Number:
AG002GWO
Chemical Name:
3-Butene-1,2-diol, 3-phenyl-
CAS Number:
188481-67-6
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
3-phenylbut-3-ene-1,2-diol
InChI:
InChI=1S/C10H12O2/c1-8(10(12)7-11)9-5-3-2-4-6-9/h2-6,10-12H,1,7H2
InChI Key:
VYQFJGZTBGKQAV-UHFFFAOYSA-N
SMILES:
OCC(C(=C)c1ccccc1)O
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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