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13138-76-6 | 1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester
CAS No: 13138-76-6 Catalog No: AG000W2K MDL No:MFCD03789112
Product Description
Catalog Number:
AG000W2K
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, methyl ester
CAS Number:
13138-76-6
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD03789112
IUPAC Name:
methyl 1-methyl-4-nitropyrrole-2-carboxylate
InChI:
InChI=1S/C7H8N2O4/c1-8-4-5(9(11)12)3-6(8)7(10)13-2/h3-4H,1-2H3
InChI Key:
SEOKAHOXOYKYKS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(c1)C)C(=O)OC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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