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122520-93-8 | 2-Propenoic acid, 2-cyano-3-(1H-pyrrol-2-yl)-, (Z)- (9CI)
CAS No: 122520-93-8 Catalog No: AG0017DL MDL No:MFCD11100239
Product Description
Catalog Number:
AG0017DL
Chemical Name:
2-Propenoic acid, 2-cyano-3-(1H-pyrrol-2-yl)-, (Z)- (9CI)
CAS Number:
122520-93-8
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD11100239
IUPAC Name:
(Z)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H6N2O2/c9-5-6(8(11)12)4-7-2-1-3-10-7/h1-4,10H,(H,11,12)/b6-4-
InChI Key:
RVTZJVIKNDCLAC-XQRVVYSFSA-N
SMILES:
N#C/C(=C/c1ccc[nH]1)/C(=O)O
NSC Number:
94958
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Tyrphostins I: synthesis and biological activity of protein tyrosine kinase inhibitors. | Journal of medicinal chemistry 19891001 |
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