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20568-07-4 | Benzenebutanamide, β-methyl-
CAS No: 20568-07-4 Catalog No: AG002AA7 MDL No:
Product Description
Catalog Number:
AG002AA7
Chemical Name:
Benzenebutanamide, β-methyl-
CAS Number:
20568-07-4
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
3-methyl-4-phenylbutanamide
InChI:
InChI=1S/C11H15NO/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,12,13)
InChI Key:
UGUYCFCHAOHXOD-UHFFFAOYSA-N
SMILES:
CC(Cc1ccccc1)CC(=O)N
NSC Number:
243723
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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