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Home > Nitro Compounds > 893611-92-2
893611-92-2 | Benzoic acid,3-nitro-2-(1-piperidinyl)-
CAS No: 893611-92-2 Catalog No: AG003YX2 MDL No:MFCD08056171
Product Description
Catalog Number:
AG003YX2
Chemical Name:
Benzoic acid,3-nitro-2-(1-piperidinyl)-
CAS Number:
893611-92-2
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
MDL Number:
MFCD08056171
IUPAC Name:
3-nitro-2-piperidin-1-ylbenzoic acid
InChI:
InChI=1S/C12H14N2O4/c15-12(16)9-5-4-6-10(14(17)18)11(9)13-7-2-1-3-8-13/h4-6H,1-3,7-8H2,(H,15,16)
InChI Key:
TWTRPCPEUQFCAA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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