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1261079-77-9 | [2,2'-Bipyrimidine]-4-carboxylic acid, 1,6-dihydro-6-oxo-
CAS No: 1261079-77-9 Catalog No: AG000RN4 MDL No:MFCD18157673
Product Description
Catalog Number:
AG000RN4
Chemical Name:
[2,2'-Bipyrimidine]-4-carboxylic acid, 1,6-dihydro-6-oxo-
CAS Number:
1261079-77-9
Molecular Formula:
C9H6N4O3
Molecular Weight:
218.1689
MDL Number:
MFCD18157673
IUPAC Name:
6-oxo-2-pyrimidin-2-yl-1H-pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H6N4O3/c14-6-4-5(9(15)16)12-8(13-6)7-10-2-1-3-11-7/h1-4H,(H,15,16)(H,12,13,14)
InChI Key:
BKGWIMFCVCSBIP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(=O)[nH]c(n1)c1ncccn1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.172g/mol
Monoisotopic Mass:
218.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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