Name: Name:4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid
Brand: Angene
SKU: AG00C5Z1
Rating: 90 (10 reviews)

4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid

CAS No.:

312921-75-8

Catalog Number:

AG00C5Z1

Molecular Formula:

C13H16N2O4

Molecular Weight:

264.2771

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Quantity

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United States

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Catalog Number:

AG00C5Z1

Chemical Name:

4-(4-Methylpiperidin-1-yl)-3-nitrobenzoic acid

CAS Number:

312921-75-8

Molecular Formula:

C13H16N2O4

Molecular Weight:

264.2771

MDL Number:

MFCD01797463

IUPAC Name:

4-(4-methylpiperidin-1-yl)-3-nitrobenzoic acid

InChI:

InChI=1S/C13H16N2O4/c1-9-4-6-14(7-5-9)11-3-2-10(13(16)17)8-12(11)15(18)19/h2-3,8-9H,4-7H2,1H3,(H,16,17)

InChI Key:

UMFDTTHDTBZAGN-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)O

Complexity:

347

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.281g/mol

Monoisotopic Mass:

264.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7