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890591-64-7 | 1H-Pyrazole-5-carboxylicacid, 3-(3-methoxyphenyl)-
CAS No: 890591-64-7 Catalog No: AG0041LF MDL No:MFCD03030351
Product Description
Catalog Number:
AG0041LF
Chemical Name:
1H-Pyrazole-5-carboxylicacid, 3-(3-methoxyphenyl)-
CAS Number:
890591-64-7
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD03030351
IUPAC Name:
3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
InChI Key:
IEQRHIQFNLEJMF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1n[nH]c(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:
2
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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