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30467-02-8

30467-02-8 | 6H-Purin-6-one, 1,9-dihydro-8-methyl-

CAS No: 30467-02-8 Catalog No: AG00307P MDL No:MFCD08460243

Product Description

Catalog Number:
AG00307P
Chemical Name:
6H-Purin-6-one, 1,9-dihydro-8-methyl-
CAS Number:
30467-02-8
Molecular Formula:
C6H6N4O
Molecular Weight:
150.1380
MDL Number:
MFCD08460243
IUPAC Name:
8-methyl-1,7-dihydropurin-6-one
InChI:
InChI=1S/C6H6N4O/c1-3-9-4-5(10-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
InChI Key:
KHAZBQMTILVQFT-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)c(=O)[nH]cn2
NSC Number:
22736

Properties

Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.054g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
150.141g/mol
Monoisotopic Mass:
150.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

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