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101397-00-6 | 2-Propenamide, 2-cyano-3-[5-(dimethylamino)-2-furanyl]-, (E)- (9CI)
CAS No: 101397-00-6 Catalog No: AG0004E5 MDL No:
Product Description
Catalog Number:
AG0004E5
Chemical Name:
2-Propenamide, 2-cyano-3-[5-(dimethylamino)-2-furanyl]-, (E)- (9CI)
CAS Number:
101397-00-6
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
InChI:
InChI=1S/C10H11N3O2/c1-13(2)9-4-3-8(15-9)5-7(6-11)10(12)14/h3-5H,1-2H3,(H2,12,14)
InChI Key:
DRARUDWWANAHMB-UHFFFAOYSA-N
SMILES:
CN(c1ccc(o1)/C=C(/C(=O)N)\C#N)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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