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88193-41-3

88193-41-3 | 1H-Furo[3,4-d]imidazole-4-heptanoic acid, hexahydro-2-oxo-

CAS No: 88193-41-3 Catalog No: AG004C5U MDL No:

Product Description

Catalog Number:
AG004C5U
Chemical Name:
1H-Furo[3,4-d]imidazole-4-heptanoic acid, hexahydro-2-oxo-
CAS Number:
88193-41-3
Molecular Formula:
C12H20N2O4
Molecular Weight:
256.2982
IUPAC Name:
7-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)heptanoic acid
InChI:
InChI=1S/C12H20N2O4/c15-10(16)6-4-2-1-3-5-9-11-8(7-18-9)13-12(17)14-11/h8-9,11H,1-7H2,(H,15,16)(H2,13,14,17)
InChI Key:
GFLPGXNJMFMIFA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCC1OCC2C1NC(=O)N2

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
256.302g/mol
Monoisotopic Mass:
256.142g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

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