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1253790-00-9 | 4H-Pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid, 6,7-dihydro-, ethyl ester
CAS No: 1253790-00-9 Catalog No: AG000NKZ MDL No:MFCD17011858
Product Description
Catalog Number:
AG000NKZ
Chemical Name:
4H-Pyrazolo[5,1-c][1,4]oxazine-3-carboxylic acid, 6,7-dihydro-, ethyl ester
CAS Number:
1253790-00-9
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD17011858
IUPAC Name:
ethyl 6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carboxylate
InChI:
InChI=1S/C9H12N2O3/c1-2-14-9(12)7-5-10-11-3-4-13-6-8(7)11/h5H,2-4,6H2,1H3
InChI Key:
FSSCFGIGUSWAEI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn2c1COCC2
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
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