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1307916-23-9 | 1H-Pyrrole-3-carboxylic acid, 4-cyano-5-hydroxy-2-methyl-, ethyl ester
CAS No: 1307916-23-9 Catalog No: AG000UXW MDL No:
Product Description
Catalog Number:
AG000UXW
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 4-cyano-5-hydroxy-2-methyl-, ethyl ester
CAS Number:
1307916-23-9
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
ethyl 4-cyano-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C9H10N2O3/c1-3-14-9(13)7-5(2)11-8(12)6(7)4-10/h11-12H,3H2,1-2H3
InChI Key:
NHWVQGFDMLWKIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C#N)O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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