Name: Name:4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoic acid
Brand: Angene
SKU: AG019GG8
Rating: 90 (10 reviews)

4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoic acid

CAS No.:

309943-10-0

Catalog Number:

AG019GG8

Molecular Formula:

C14H18N2O4

Molecular Weight:

278.3037

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

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.127g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.308g/mol

Monoisotopic Mass:

278.127g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1