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Home > Nitro Compounds > 89188-53-4
89188-53-4 | 1H-Pyrrole, 3-methyl-2-(2-nitroethyl)-
CAS No: 89188-53-4 Catalog No: AG003VZU MDL No:
Product Description
Catalog Number:
AG003VZU
Chemical Name:
1H-Pyrrole, 3-methyl-2-(2-nitroethyl)-
CAS Number:
89188-53-4
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
3-methyl-2-(2-nitroethyl)-1H-pyrrole
InChI:
InChI=1S/C7H10N2O2/c1-6-2-4-8-7(6)3-5-9(10)11/h2,4,8H,3,5H2,1H3
InChI Key:
RNUFVEOZCYBOJD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1[nH]ccc1C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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