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192869-49-1 | Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-, 1,1-dimethylethyl ester
CAS No: 192869-49-1 Catalog No: AG002GE6 MDL No:MFCD12407806
Product Description
Catalog Number:
AG002GE6
Chemical Name:
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 7,8-dihydro-, 1,1-dimethylethyl ester
CAS Number:
192869-49-1
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
MDL Number:
MFCD12407806
IUPAC Name:
tert-butyl 7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
InChI:
InChI=1S/C12H17N3O2/c1-12(2,3)17-11(16)15-5-4-10-9(7-15)6-13-8-14-10/h6,8H,4-5,7H2,1-3H3
InChI Key:
CEMDDESVTHLXHH-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cncn2)OC(C)(C)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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