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623565-57-1

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Basic Information
CAS No.: 623565-57-1
Name: 4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid, 6,7-dihydro-, ethyl ester
Article Data: 6
Molecular Structure:
Molecular Structure of 623565-57-1 (4H-Pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid, 6,7-dihydro-, ethyl ester)
Formula: C9H12N2O3
Molecular Weight: 196.206
Synonyms: 6, 7-Dihydro-4H-pyrazolo[5, 1-c][1, 4]oxazine-2-carboxylic acid ethyl ester;
Density: 1.35 g/cm3
Boiling Point: 367.269 °C at 760 mmHg
Flash Point: 175.918 °C
PSA: 53.35000
LogP: 0.59000
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Specification

The 4H-Pyrazolo[5, 1-c][1, 4]oxazine-2-carboxylicacid, 6, 7-dihydro-, ethyl ester, with the CAS registry number of 623565-57-1, is also known as 6, 7-Dihydro-4H-pyrazolo[5, 1-c][1, 4]oxazine-2-carboxylic acid ethyl ester. This chemical's molecular formula is C9H12N2O3 and molecular weight is 196.20318. What's more, its systematic name is called Ethyl 6, 7-dihydro-4H-pyrazolo[5, 1-c][1, 4]oxazine-2-carboxylate.

Physical properties about 4H-Pyrazolo[5, 1-c][1, 4]oxazine-2-carboxylicacid, 6, 7-dihydro-, ethyl ester are: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Index of Refraction: 1.595; (8)Molar Refractivity: 49.377 cm3; (9)Molar Volume: 145.345 cm3; (10)Polarizability: 19.574×10-24 cm3; (11)Surface Tension: 48.02 dyne/cm; (12)Density: 1.35 g/cm3; (13)Flash Point: 175.918 °C; (14)Enthalpy of Vaporization: 61.378 kJ/mol; (15)Boiling Point: 367.269 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1nn2c(c1)COCC2
(2) InChI: InChI=1/C9H12N2O3/c1-2-14-9(12)8-5-7-6-13-4-3-11(7)10-8/h5H,2-4,6H2,1H3
(3) InChIKey: OXKHHZJNEHYAPB-UHFFFAOYAU