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183268-95-3 | 1H-Pyrrole-2-carboxylic acid, 1-ethyl-5-methyl-4-nitro-
CAS No: 183268-95-3 Catalog No: AG0027FV MDL No:
Product Description
Catalog Number:
AG0027FV
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-ethyl-5-methyl-4-nitro-
CAS Number:
183268-95-3
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
1-ethyl-5-methyl-4-nitropyrrole-2-carboxylic acid
InChI:
InChI=1S/C8H10N2O4/c1-3-9-5(2)6(10(13)14)4-7(9)8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChI Key:
QAZHUKBRHUBLFY-UHFFFAOYSA-N
SMILES:
CCn1c(cc(c1C)[N+](=O)[O-])C(=O)O
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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