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131474-81-2 | 2-Buten-1-one, 3-amino-1-(4-methylphenyl)-
CAS No: 131474-81-2 Catalog No: AG000W9C MDL No:
Product Description
Catalog Number:
AG000W9C
Chemical Name:
2-Buten-1-one, 3-amino-1-(4-methylphenyl)-
CAS Number:
131474-81-2
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
3-amino-1-(4-methylphenyl)but-2-en-1-one
InChI:
InChI=1S/C11H13NO/c1-8-3-5-10(6-4-8)11(13)7-9(2)12/h3-7H,12H2,1-2H3
InChI Key:
HBKJOBYIQMXNLQ-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)c1ccc(cc1)C)N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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