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Home > Nitro Compounds > 89188-52-3
89188-52-3 | 1H-Pyrrole, 3-methyl-2-(2-nitroethenyl)-
CAS No: 89188-52-3 Catalog No: AG003VQ3 MDL No:
Product Description
Catalog Number:
AG003VQ3
Chemical Name:
1H-Pyrrole, 3-methyl-2-(2-nitroethenyl)-
CAS Number:
89188-52-3
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
3-methyl-2-(2-nitroethenyl)-1H-pyrrole
InChI:
InChI=1S/C7H8N2O2/c1-6-2-4-8-7(6)3-5-9(10)11/h2-5,8H,1H3
InChI Key:
FWPPKRYQKMXNQZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1[nH]ccc1C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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