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Home > Nitro Compounds > 890091-66-4
890091-66-4 | 2-(4-Methyl-1-piperidinyl)-3-nitrobenzoic acid
CAS No: 890091-66-4 Catalog No: AG00J9Q6 MDL No:MFCD06809637
Product Description
Catalog Number:
AG00J9Q6
Chemical Name:
2-(4-Methyl-1-piperidinyl)-3-nitrobenzoic acid
CAS Number:
890091-66-4
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD06809637
IUPAC Name:
2-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C13H16N2O4/c1-9-5-7-14(8-6-9)12-10(13(16)17)3-2-4-11(12)15(18)19/h2-4,9H,5-8H2,1H3,(H,16,17)
InChI Key:
FEHIBIZBCHAJQF-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)c1c(cccc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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