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436811-14-2 | 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID
CAS No: 436811-14-2 Catalog No: AG00D9DH MDL No:MFCD02127402
Product Description
Catalog Number:
AG00D9DH
Chemical Name:
2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-4-METHYLSULFANYL-BUTYRIC ACID
CAS Number:
436811-14-2
MDL Number:
MFCD02127402
IUPAC Name:
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C9H14N4O4S/c1-18-3-2-4(7(14)15)13-6-5(11-9(13)17)10-8(16)12-6/h4-6H,2-3H2,1H3,(H,11,17)(H,14,15)(H2,10,12,16)
InChI Key:
ZIJZHICDZSWHSK-UHFFFAOYSA-N
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.295g/mol
Monoisotopic Mass:
274.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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