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13910-23-1 | 2-Butenal, 4-phenyl-
CAS No: 13910-23-1 Catalog No: AG001A9Y MDL No:
Product Description
Catalog Number:
AG001A9Y
Chemical Name:
2-Butenal, 4-phenyl-
CAS Number:
13910-23-1
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
4-phenylbut-2-enal
InChI:
InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2
InChI Key:
WLNLUFZWBZXINT-UHFFFAOYSA-N
SMILES:
O=CC=CCc1ccccc1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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