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76923-35-8 | Methyl 3-methyl-5-(thiophen-2-yl)-1H-pyrazole-4-carboxylate
CAS No: 76923-35-8 Catalog No: AG003AU5 MDL No:
Product Description
Catalog Number:
AG003AU5
Chemical Name:
Methyl 3-methyl-5-(thiophen-2-yl)-1H-pyrazole-4-carboxylate
CAS Number:
76923-35-8
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
methyl 5-methyl-3-thiophen-2-yl-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C10H10N2O2S/c1-6-8(10(13)14-2)9(12-11-6)7-4-3-5-15-7/h3-5H,1-2H3,(H,11,12)
InChI Key:
IGUKTJRPNHRPKC-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)n[nH]c1c1cccs1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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