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Home > Nitro Compounds > 26577-59-3
26577-59-3 | Benzoic acid, 4-(4-morpholinyl)-3-nitro-
CAS No: 26577-59-3 Catalog No: AG002TR1 MDL No:MFCD00438745
Product Description
Catalog Number:
AG002TR1
Chemical Name:
Benzoic acid, 4-(4-morpholinyl)-3-nitro-
CAS Number:
26577-59-3
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
MDL Number:
MFCD00438745
IUPAC Name:
4-morpholin-4-yl-3-nitrobenzoic acid
InChI:
InChI=1S/C11H12N2O5/c14-11(15)8-1-2-9(10(7-8)13(16)17)12-3-5-18-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChI Key:
SREBONXEMNOUKV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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