200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 898907-67-0
898907-67-0 | 5-(3-NITROPHENYL)NICOTINIC ACID
CAS No: 898907-67-0 Catalog No: AG00GYHQ MDL No:MFCD06410280
Product Description
Catalog Number:
AG00GYHQ
Chemical Name:
5-(3-NITROPHENYL)NICOTINIC ACID
CAS Number:
898907-67-0
Molecular Formula:
C12H8N2O4
Molecular Weight:
244.2029
MDL Number:
MFCD06410280
IUPAC Name:
5-(3-nitrophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8N2O4/c15-12(16)10-4-9(6-13-7-10)8-2-1-3-11(5-8)14(17)18/h1-7H,(H,15,16)
InChI Key:
SCCBPJUNKJQITD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.206g/mol
Monoisotopic Mass:
244.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.