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20936-74-7 | 2-Propenoic acid, 2-cyano-3-(1H-pyrazol-3-ylamino)-, ethyl ester
CAS No: 20936-74-7 Catalog No: AG002K7R MDL No:
Product Description
Catalog Number:
AG002K7R
Chemical Name:
2-Propenoic acid, 2-cyano-3-(1H-pyrazol-3-ylamino)-, ethyl ester
CAS Number:
20936-74-7
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
ethyl 2-cyano-3-(1H-pyrazol-5-ylamino)prop-2-enoate
InChI:
InChI=1S/C9H10N4O2/c1-2-15-9(14)7(5-10)6-11-8-3-4-12-13-8/h3-4,6H,2H2,1H3,(H2,11,12,13)
InChI Key:
MKNNHBLDCYQHJP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1cc[nH]n1)C#N
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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