Home Carboxys 4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid, 6,7-dihydro-, ethyl ester

4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid, 6,7-dihydro-, ethyl ester

CAS No.:
623565-57-1
Catalog Number:
AG00EIDM
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG00EIDM
Chemical Name:
4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid, 6,7-dihydro-, ethyl ester
CAS Number:
623565-57-1
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD10566751
IUPAC Name:
ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
InChI Key:
OXKHHZJNEHYAPB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn2c(c1)COCC2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties