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1156794-25-0 | 2-Propenamide, N-(2-cyclopropyl-5-benzoxazolyl)-
CAS No: 1156794-25-0 Catalog No: AG000GQ8 MDL No:
Product Description
Catalog Number:
AG000GQ8
Chemical Name:
2-Propenamide, N-(2-cyclopropyl-5-benzoxazolyl)-
CAS Number:
1156794-25-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)prop-2-enamide
InChI:
InChI=1S/C13H12N2O2/c1-2-12(16)14-9-5-6-11-10(7-9)15-13(17-11)8-3-4-8/h2,5-8H,1,3-4H2,(H,14,16)
InChI Key:
WFNUEEZPXMRKMI-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc2c(c1)nc(o2)C1CC1
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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