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17639-39-3 | Glycine, 4-nitrophenyl ester
CAS No: 17639-39-3 Catalog No: AG0024NX MDL No:MFCD04037437
Product Description
Catalog Number:
AG0024NX
Chemical Name:
Glycine, 4-nitrophenyl ester
CAS Number:
17639-39-3
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD04037437
IUPAC Name:
(4-nitrophenyl) 2-aminoacetate
InChI:
InChI=1S/C8H8N2O4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5,9H2
InChI Key:
KGONNPXPJQKSGN-UHFFFAOYSA-N
SMILES:
NCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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