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19832-78-1 | 2-Propen-1-one, 1-(4-methylphenyl)-
CAS No: 19832-78-1 Catalog No: AG002BFN MDL No:
Product Description
Catalog Number:
AG002BFN
Chemical Name:
2-Propen-1-one, 1-(4-methylphenyl)-
CAS Number:
19832-78-1
Molecular Formula:
C10H10O
Molecular Weight:
146.1858
IUPAC Name:
1-(4-methylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C10H10O/c1-3-10(11)9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChI Key:
XHCPTPNCDKFRPZ-UHFFFAOYSA-N
SMILES:
C=CC(=O)c1ccc(cc1)C
Properties
Complexity:
152
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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