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89839-83-8 | 4-Penten-2-one, 4-methyl-5-phenyl-, (Z)-
CAS No: 89839-83-8 Catalog No: AG003WW4 MDL No:
Product Description
Catalog Number:
AG003WW4
Chemical Name:
4-Penten-2-one, 4-methyl-5-phenyl-, (Z)-
CAS Number:
89839-83-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
4-methyl-5-phenylpent-4-en-2-one
InChI:
InChI=1S/C12H14O/c1-10(8-11(2)13)9-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChI Key:
KYMGBHCMGAYDGJ-UHFFFAOYSA-N
SMILES:
C/C(=C/c1ccccc1)/CC(=O)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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