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88193-39-9 | 1H-Furo[3,4-d]imidazole-4-acetic acid, hexahydro-2-oxo-
CAS No: 88193-39-9 Catalog No: AG004C9O MDL No:
Product Description
Catalog Number:
AG004C9O
Chemical Name:
1H-Furo[3,4-d]imidazole-4-acetic acid, hexahydro-2-oxo-
CAS Number:
88193-39-9
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
2-(2-oxo-1,3,3a,4,6,6a-hexahydrofuro[3,4-d]imidazol-4-yl)acetic acid
InChI:
InChI=1S/C7H10N2O4/c10-5(11)1-4-6-3(2-13-4)8-7(12)9-6/h3-4,6H,1-2H2,(H,10,11)(H2,8,9,12)
InChI Key:
JCLDXKOMOWTGQG-UHFFFAOYSA-N
SMILES:
OC(=O)CC1OCC2C1NC(=O)N2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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