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88193-62-8 | 1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo-
CAS No: 88193-62-8 Catalog No: AG008BIS MDL No:
Product Description
Catalog Number:
AG008BIS
Chemical Name:
1H-Benzimidazole-4-pentanoic acid, octahydro-2-oxo-
CAS Number:
88193-62-8
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
5-(2-oxo-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-4-yl)pentanoic acid
InChI:
InChI=1S/C12H20N2O3/c15-10(16)7-2-1-4-8-5-3-6-9-11(8)14-12(17)13-9/h8-9,11H,1-7H2,(H,15,16)(H2,13,14,17)
InChI Key:
VGKVUTDHOLIXBG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1CCCC2C1NC(=O)N2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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