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705291-54-9 | 2-tert-butylpyrido[4,3-d]pyriMidin-4(3H)-one
CAS No: 705291-54-9 Catalog No: AG00FH34 MDL No:MFCD20921947
Product Description
Catalog Number:
AG00FH34
Chemical Name:
2-tert-butylpyrido[4,3-d]pyriMidin-4(3H)-one
CAS Number:
705291-54-9
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD20921947
IUPAC Name:
2-tert-butyl-3H-pyrido[4,3-d]pyrimidin-4-one
InChI:
InChI=1S/C11H13N3O/c1-11(2,3)10-13-8-4-5-12-6-7(8)9(15)14-10/h4-6H,1-3H3,(H,13,14,15)
InChI Key:
VABXTCMZLAPUDJ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(nc2c1cncc2)C(C)(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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