Home Carboxys methyl 1-benzyl-1H-pyrazole-3-carboxylate

methyl 1-benzyl-1H-pyrazole-3-carboxylate

CAS No.:
7188-98-9
Catalog Number:
AG01B90O
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG01B90O
Chemical Name:
methyl 1-benzyl-1H-pyrazole-3-carboxylate
CAS Number:
7188-98-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD28157905
IUPAC Name:
methyl 1-benzylpyrazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-16-12(15)11-7-8-14(13-11)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
TUBJGGPNBGBTAY-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccn(n1)Cc1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties