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146603-28-3 | 1H-PERIMIDINE-2-CARBOXYLIC ACID
CAS No: 146603-28-3 Catalog No: AG001E62 MDL No:MFCD03656259
Product Description
Catalog Number:
AG001E62
Chemical Name:
1H-PERIMIDINE-2-CARBOXYLIC ACID
CAS Number:
146603-28-3
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
MDL Number:
MFCD03656259
IUPAC Name:
1H-perimidine-2-carboxylic acid
InChI:
InChI=1S/C12H8N2O2/c15-12(16)11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-6H,(H,13,14)(H,15,16)
InChI Key:
SSLKCRRRVHOPOI-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2cccc3c2c([nH]1)ccc3
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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