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1353946-86-7 | [2-Oxo-2-(1H-pyrrol-2-yl)-ethylamino]-acetic acid
CAS No: 1353946-86-7 Catalog No: AG01F99A MDL No:
Product Description
Catalog Number:
AG01F99A
Chemical Name:
[2-Oxo-2-(1H-pyrrol-2-yl)-ethylamino]-acetic acid
CAS Number:
1353946-86-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
2-[[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
InChI:
InChI=1S/C8H10N2O3/c11-7(4-9-5-8(12)13)6-2-1-3-10-6/h1-3,9-10H,4-5H2,(H,12,13)
InChI Key:
KFXCQCDZOGWAFT-UHFFFAOYSA-N
SMILES:
OC(=O)CNCC(=O)c1ccc[nH]1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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