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1319125-29-5 | 3-(3,4,5-Trimethoxyphenyl)-1{H}-pyrazole-5-carboxylic acid
CAS No: 1319125-29-5 Catalog No: AG01FLTQ MDL No:MFCD05170217
Product Description
Catalog Number:
AG01FLTQ
Chemical Name:
3-(3,4,5-Trimethoxyphenyl)-1{H}-pyrazole-5-carboxylic acid
CAS Number:
1319125-29-5
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD05170217
IUPAC Name:
3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C13H14N2O5/c1-18-10-4-7(5-11(19-2)12(10)20-3)8-6-9(13(16)17)15-14-8/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChI Key:
FYERHXVYCMXLAX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1n[nH]c(c1)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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