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854357-45-2 | 2-[(2-methoxyethyl)amino]-5-nitrobenzoic acid
CAS No: 854357-45-2 Catalog No: AG00IDO0 MDL No:MFCD06655920
Product Description
Catalog Number:
AG00IDO0
Chemical Name:
2-[(2-methoxyethyl)amino]-5-nitrobenzoic acid
CAS Number:
854357-45-2
Molecular Formula:
C10H12N2O5
Molecular Weight:
240.2127
MDL Number:
MFCD06655920
IUPAC Name:
2-(2-methoxyethylamino)-5-nitrobenzoic acid
InChI:
InChI=1S/C10H12N2O5/c1-17-5-4-11-9-3-2-7(12(15)16)6-8(9)10(13)14/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChI Key:
DNPQOPWOYVMQNL-UHFFFAOYSA-N
SMILES:
COCCNc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.215g/mol
Monoisotopic Mass:
240.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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