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86477-09-0 | Ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate
CAS No: 86477-09-0 Catalog No: AG004QPA MDL No:MFCD11975789
Product Description
Catalog Number:
AG004QPA
Chemical Name:
Ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate
CAS Number:
86477-09-0
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD11975789
IUPAC Name:
ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-2-13-9(12)8-6-7-4-3-5-11(7)10-8/h6H,2-5H2,1H3
InChI Key:
MGGGSJRWNQFCLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn2c(c1)CCC2
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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