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1184744-57-7 | [Ethyl-(3-nitro-benzyl)-amino]-acetic acid
CAS No: 1184744-57-7 Catalog No: AG01FB5W MDL No:
Product Description
Catalog Number:
AG01FB5W
Chemical Name:
[Ethyl-(3-nitro-benzyl)-amino]-acetic acid
CAS Number:
1184744-57-7
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
2-[ethyl-[(3-nitrophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C11H14N2O4/c1-2-12(8-11(14)15)7-9-4-3-5-10(6-9)13(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
FGMQHFMWKHOJQR-UHFFFAOYSA-N
SMILES:
CCN(Cc1cccc(c1)[N+](=O)[O-])CC(=O)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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