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802611-55-8 | Pyrrolo[3,4-d]imidazole-5(1H)-butyric acid, hexahydro-4-methyl-2-oxo-, stereoisomer (8CI)
CAS No: 802611-55-8 Catalog No: AG00GL9S MDL No:
Product Description
Catalog Number:
AG00GL9S
Chemical Name:
Pyrrolo[3,4-d]imidazole-5(1H)-butyric acid, hexahydro-4-methyl-2-oxo-, stereoisomer (8CI)
CAS Number:
802611-55-8
IUPAC Name:
4-(4-methyl-2-oxo-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-d]imidazol-5-yl)butanoic acid
InChI:
InChI=1S/C10H17N3O3/c1-6-9-7(11-10(16)12-9)5-13(6)4-2-3-8(14)15/h6-7,9H,2-5H2,1H3,(H,14,15)(H2,11,12,16)
InChI Key:
ZQQLZLRUJJTSPW-UHFFFAOYSA-N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
227.264g/mol
Monoisotopic Mass:
227.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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