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122-57-6 | 3-Buten-2-one, 4-phenyl-
CAS No: 122-57-6 Catalog No: AG0016J2 MDL No:MFCD00008779
Product Description
Catalog Number:
AG0016J2
Chemical Name:
3-Buten-2-one, 4-phenyl-
CAS Number:
122-57-6
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
MDL Number:
MFCD00008779
IUPAC Name:
(E)-4-phenylbut-3-en-2-one
InChI:
InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChI Key:
BWHOZHOGCMHOBV-BQYQJAHWSA-N
SMILES:
CC(=O)C=Cc1ccccc1
UNII:
B03X40BMT5
NSC Number:
5605
FEMA Number:
2881
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:
2.1
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