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871926-02-2 | 2-CYANO-3-(PYRAZIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
CAS No: 871926-02-2 Catalog No: AG004NKR MDL No:MFCD07354770
Product Description
Catalog Number:
AG004NKR
Chemical Name:
2-CYANO-3-(PYRAZIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
CAS Number:
871926-02-2
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD07354770
IUPAC Name:
ethyl 2-cyano-3-(pyrazin-2-ylamino)prop-2-enoate
InChI:
InChI=1S/C10H10N4O2/c1-2-16-10(15)8(5-11)6-14-9-7-12-3-4-13-9/h3-4,6-7H,2H2,1H3,(H,13,14)
InChI Key:
AWWJMQVNIVUHGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1cnccn1)C#N
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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