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890621-20-2 | 1H-Pyrazole-5-carboxylicacid, 3-(2-ethoxyphenyl)-
CAS No: 890621-20-2 Catalog No: AG0040SF MDL No:MFCD03030194
Product Description
Catalog Number:
AG0040SF
Chemical Name:
1H-Pyrazole-5-carboxylicacid, 3-(2-ethoxyphenyl)-
CAS Number:
890621-20-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD03030194
IUPAC Name:
3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C12H12N2O3/c1-2-17-11-6-4-3-5-8(11)9-7-10(12(15)16)14-13-9/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChI Key:
AEWKKBWNUCOEAA-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1c1n[nH]c(c1)C(=O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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