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1196-67-4 | 2-Butenal, 3-phenyl-
CAS No: 1196-67-4 Catalog No: AG000P9B MDL No:
Product Description
Catalog Number:
AG000P9B
Chemical Name:
2-Butenal, 3-phenyl-
CAS Number:
1196-67-4
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
(E)-3-phenylbut-2-enal
InChI:
InChI=1S/C10H10O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
InChI Key:
IEARORYJISZKGK-VQHVLOKHSA-N
SMILES:
O=CC=C(c1ccccc1)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
146.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.189g/mol
Monoisotopic Mass:
146.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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