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852180-74-6 | 3-Pyrimidin-5-yl-benzoic acid
CAS No: 852180-74-6 Catalog No: AG004M5P MDL No:MFCD05864810
Product Description
Catalog Number:
AG004M5P
Chemical Name:
3-Pyrimidin-5-yl-benzoic acid
CAS Number:
852180-74-6
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD05864810
IUPAC Name:
3-pyrimidin-5-ylbenzoic acid
InChI:
InChI=1S/C11H8N2O2/c14-11(15)9-3-1-2-8(4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
InChI Key:
URQRFVRGUHUTMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1cncnc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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