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Home > Indoles and Oxindole > 115127-16-7
115127-16-7 | 1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
CAS No: 115127-16-7 Catalog No: AG00HCY2 MDL No:MFCD05666484
Product Description
Catalog Number:
AG00HCY2
Chemical Name:
1H-Pyrimido[4,5-b]indole-2,4(3H,9H)-dione
CAS Number:
115127-16-7
Molecular Formula:
C10H7N3O2
Molecular Weight:
201.1815
MDL Number:
MFCD05666484
IUPAC Name:
1,9-dihydropyrimido[4,5-b]indole-2,4-dione
InChI:
InChI=1S/C10H7N3O2/c14-9-7-5-3-1-2-4-6(5)11-8(7)12-10(15)13-9/h1-4H,(H3,11,12,13,14,15)
InChI Key:
SDJWQYSENOMSPV-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c([nH]1)[nH]c1c2cccc1
NSC Number:
680815
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.185g/mol
Monoisotopic Mass:
201.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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