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Home Carboxys Methyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate

Methyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate

CAS No.:
69631-56-7
Catalog Number:
AG00FD2E
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00FD2E
Chemical Name:
Methyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate
CAS Number:
69631-56-7
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD05668059
IUPAC Name:
methyl 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-12-8(11)7-5-3-2-4-6(5)9-10-7/h2-4H2,1H3,(H,9,10)
InChI Key:
LOUYGUZFGBPISB-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1CCC2
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties