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Home > Nitro Compounds > 2060029-65-2
2060029-65-2 | 4-hydroxy-2-(3-nitrophenyl)benzoic acid
CAS No: 2060029-65-2 Catalog No: AG01BYDO MDL No:MFCD30488944
Product Description
Catalog Number:
AG01BYDO
Chemical Name:
4-hydroxy-2-(3-nitrophenyl)benzoic acid
CAS Number:
2060029-65-2
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD30488944
IUPAC Name:
4-hydroxy-2-(3-nitrophenyl)benzoic acid
InChI:
InChI=1S/C13H9NO5/c15-10-4-5-11(13(16)17)12(7-10)8-2-1-3-9(6-8)14(18)19/h1-7,15H,(H,16,17)
InChI Key:
BJUJVEIVXHEOAJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)c1cccc(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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