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Home > Nitro Compounds > 942474-29-5
942474-29-5 | 3-NITRO-4-(PIPERIDIN-4-OL-1-YL)BENZOIC ACID
CAS No: 942474-29-5 Catalog No: AG00H1WX MDL No:MFCD09038306
Product Description
Catalog Number:
AG00H1WX
Chemical Name:
3-NITRO-4-(PIPERIDIN-4-OL-1-YL)BENZOIC ACID
CAS Number:
942474-29-5
MDL Number:
MFCD09038306
IUPAC Name:
4-(4-hydroxypiperidin-1-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C12H14N2O5/c15-9-3-5-13(6-4-9)10-2-1-8(12(16)17)7-11(10)14(18)19/h1-2,7,9,15H,3-6H2,(H,16,17)
InChI Key:
XPWZWQDPXCVKOL-UHFFFAOYSA-N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.253g/mol
Monoisotopic Mass:
266.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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