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Home > Nitro Compounds > 649774-24-3
649774-24-3 | Benzoic acid, 3-[3-(4-nitrophenoxy)-2-oxo-1-pyrrolidinyl]-
CAS No: 649774-24-3 Catalog No: AG00H6PL MDL No:
Product Description
Catalog Number:
AG00H6PL
Chemical Name:
Benzoic acid, 3-[3-(4-nitrophenoxy)-2-oxo-1-pyrrolidinyl]-
CAS Number:
649774-24-3
Molecular Formula:
C17H14N2O6
Molecular Weight:
342.3029
IUPAC Name:
3-[3-(4-nitrophenoxy)-2-oxopyrrolidin-1-yl]benzoic acid
InChI:
InChI=1S/C17H14N2O6/c20-16-15(25-14-6-4-12(5-7-14)19(23)24)8-9-18(16)13-3-1-2-11(10-13)17(21)22/h1-7,10,15H,8-9H2,(H,21,22)
InChI Key:
IUGPLKQFRBFCPU-UHFFFAOYSA-N
SMILES:
O=C1C(CCN1c1cccc(c1)C(=O)O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.307g/mol
Monoisotopic Mass:
342.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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