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Home > Nitro Compounds > 312921-75-8
312921-75-8 | 4-(4-METHYL-PIPERIDIN-1-YL)-3-NITRO-BENZOIC ACID
CAS No: 312921-75-8 Catalog No: AG00C5Z1 MDL No:MFCD01797463
Product Description
Catalog Number:
AG00C5Z1
Chemical Name:
4-(4-METHYL-PIPERIDIN-1-YL)-3-NITRO-BENZOIC 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
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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