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88229-22-5 | Benzamide, 4-methyl-N-2-propenyl-
CAS No: 88229-22-5 Catalog No: AG004B4F MDL No:
Product Description
Catalog Number:
AG004B4F
Chemical Name:
Benzamide, 4-methyl-N-2-propenyl-
CAS Number:
88229-22-5
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
4-methyl-N-prop-2-enylbenzamide
InChI:
InChI=1S/C11H13NO/c1-3-8-12-11(13)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3,(H,12,13)
InChI Key:
NKPIOFCIOMRALO-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1ccc(cc1)C
Properties
Complexity:
181
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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