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1015845-77-8 | 1H-Pyrazole-4-carboxylic acid, 1-(2-methoxyphenyl)-
CAS No: 1015845-77-8 Catalog No: AG0004VA MDL No:MFCD05864512
Product Description
Catalog Number:
AG0004VA
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(2-methoxyphenyl)-
CAS Number:
1015845-77-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD05864512
IUPAC Name:
1-(2-methoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-9(10)13-7-8(6-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:
GETIPSHEOZTBRP-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1ncc(c1)C(=O)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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