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304015-82-5 | 1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-1-methyl-5-nitro-
CAS No: 304015-82-5 Catalog No: AG00300F MDL No:
Product Description
Catalog Number:
AG00300F
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-1-methyl-5-nitro-
CAS Number:
304015-82-5
Molecular Formula:
C7H8N2O5
Molecular Weight:
200.1488
IUPAC Name:
4-(hydroxymethyl)-1-methyl-5-nitropyrrole-2-carboxylic acid
InChI:
InChI=1S/C7H8N2O5/c1-8-5(7(11)12)2-4(3-10)6(8)9(13)14/h2,10H,3H2,1H3,(H,11,12)
InChI Key:
XHMAHGRLAGQVNX-UHFFFAOYSA-N
SMILES:
OCc1cc(n(c1[N+](=O)[O-])C)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.15g/mol
Monoisotopic Mass:
200.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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