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309943-10-0 | 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoic acid
CAS No: 309943-10-0 Catalog No: AG019GG8 MDL No:MFCD02111687
Product Description
Catalog Number:
AG019GG8
Chemical Name:
4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoic acid
CAS Number:
309943-10-0
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
MDL Number:
MFCD02111687
IUPAC Name:
4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C14H18N2O4/c1-9-5-10(2)8-15(7-9)12-4-3-11(14(17)18)6-13(12)16(19)20/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)
InChI Key:
SZOJBAZUEAQOBX-UHFFFAOYSA-N
SMILES:
CC1CC(C)CN(C1)c1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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