Home Carboxys methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate

methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate

CAS No.:
1384706-10-8
Catalog Number:
AG019ZR9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG019ZR9
Chemical Name:
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
CAS Number:
1384706-10-8
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
methyl 4,5,6,7-tetrahydro-1H-indazole-4-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-13-9(12)6-3-2-4-8-7(6)5-10-11-8/h5-6H,2-4H2,1H3,(H,10,11)
InChI Key:
ZZONFVZCPOFMFW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCc2c1cn[nH]2
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties