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1182936-50-0 | [Isopropyl-(4-nitro-benzyl)-amino]-acetic acid
CAS No: 1182936-50-0 Catalog No: AG01F9ZP MDL No:
Product Description
Catalog Number:
AG01F9ZP
Chemical Name:
[Isopropyl-(4-nitro-benzyl)-amino]-acetic acid
CAS Number:
1182936-50-0
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
2-[(4-nitrophenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-9(2)13(8-12(15)16)7-10-3-5-11(6-4-10)14(17)18/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChI Key:
OTVUQBCGWDUVTH-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(C)C)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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