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98045-81-9 | 3-Butenamide, 4-(3-ethyl-2,3-dihydro-2-benzoxazolyl)-
CAS No: 98045-81-9 Catalog No: AG00H6M7 MDL No:
Product Description
Catalog Number:
AG00H6M7
Chemical Name:
3-Butenamide, 4-(3-ethyl-2,3-dihydro-2-benzoxazolyl)-
CAS Number:
98045-81-9
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
4-(3-ethyl-2H-1,3-benzoxazol-2-yl)but-3-enamide
InChI:
InChI=1S/C13H16N2O2/c1-2-15-10-6-3-4-7-11(10)17-13(15)9-5-8-12(14)16/h3-7,9,13H,2,8H2,1H3,(H2,14,16)
InChI Key:
LYFBRQOJTFKQLC-UHFFFAOYSA-N
SMILES:
CCN1C(C=CCC(=O)N)Oc2c1cccc2
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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