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10225-38-4 | 1,3-Butanedione, 1-phenyl-2-(2-propen-1-yl)-
CAS No: 10225-38-4 Catalog No: AG000712 MDL No:
Product Description
Catalog Number:
AG000712
Chemical Name:
1,3-Butanedione, 1-phenyl-2-(2-propen-1-yl)-
CAS Number:
10225-38-4
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
1-phenyl-2-prop-2-enylbutane-1,3-dione
InChI:
InChI=1S/C13H14O2/c1-3-7-12(10(2)14)13(15)11-8-5-4-6-9-11/h3-6,8-9,12H,1,7H2,2H3
InChI Key:
QIBVZPSRWCNABO-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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