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1088994-22-2 | 5-Methyl-2-(pyrimidin-2-yl)benzoicacid
CAS No: 1088994-22-2 Catalog No: AG0037Z6 MDL No:MFCD14706695
Product Description
Catalog Number:
AG0037Z6
Chemical Name:
5-Methyl-2-(pyrimidin-2-yl)benzoicacid
CAS Number:
1088994-22-2
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
MDL Number:
MFCD14706695
IUPAC Name:
5-methyl-2-pyrimidin-2-ylbenzoic acid
InChI:
InChI=1S/C12H10N2O2/c1-8-3-4-9(10(7-8)12(15)16)11-13-5-2-6-14-11/h2-7H,1H3,(H,15,16)
InChI Key:
WKBKHXGASBZRMI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)c1ncccn1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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