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1248790-09-1 | Benzoic acid, 2-methyl-4-(3-methyl-1H-pyrazol-1-yl)-
CAS No: 1248790-09-1 Catalog No: AG000MU4 MDL No:
Product Description
Catalog Number:
AG000MU4
Chemical Name:
Benzoic acid, 2-methyl-4-(3-methyl-1H-pyrazol-1-yl)-
CAS Number:
1248790-09-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
2-methyl-4-(3-methylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C12H12N2O2/c1-8-7-10(3-4-11(8)12(15)16)14-6-5-9(2)13-14/h3-7H,1-2H3,(H,15,16)
InChI Key:
OMQLIKDZZKPMRN-UHFFFAOYSA-N
SMILES:
Cc1ccn(n1)c1ccc(c(c1)C)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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