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89662-08-8

89662-08-8 | Glycine, N-[3,4,5-tris[(ethoxycarbonyl)oxy]benzoyl]-

CAS No: 89662-08-8 Catalog No: AG0044VP MDL No:

Product Description

Catalog Number:
AG0044VP
Chemical Name:
Glycine, N-[3,4,5-tris[(ethoxycarbonyl)oxy]benzoyl]-
CAS Number:
89662-08-8
Molecular Formula:
C18H21NO12
Molecular Weight:
443.3588
IUPAC Name:
2-[[3,4,5-tris(ethoxycarbonyloxy)benzoyl]amino]acetic acid
InChI:
InChI=1S/C18H21NO12/c1-4-26-16(23)29-11-7-10(15(22)19-9-13(20)21)8-12(30-17(24)27-5-2)14(11)31-18(25)28-6-3/h7-8H,4-6,9H2,1-3H3,(H,19,22)(H,20,21)
InChI Key:
RYMKQULRWSZYQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)Oc1cc(cc(c1OC(=O)OCC)OC(=O)OCC)C(=O)NCC(=O)O

Properties

Complexity:
622  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.106g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
443.361g/mol
Monoisotopic Mass:
443.106g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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