AG001DXF

Name: 3H-Pyrrolo[3,4-c]isoxazole-5(6H)-carboxylic acid, 3a,4-dihydro-, phenylmethyl ester
Brand: Angene Chemical
SKU: AG001DXF

1463484-39-0 | 3H-Pyrrolo[3,4-c]isoxazole-5(6H)-carboxylic acid, 3a,4-dihydro-, phenylmethyl ester

AG001DXF

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CAS Number	1463484-39-0
Catalog Number	AG001DXF(AGN-PC-0WG44E)
Chemical Name	3H-Pyrrolo[3,4-c]isoxazole-5(6H)-carboxylic acid, 3a,4-dihydro-, phenylmethyl ester
IUPAC Name	benzyl 3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carboxylate
InChI	InChI=1S/C13H14N2O3/c16-13(17-8-10-4-2-1-3-5-10)15-6-11-9-18-14-12(11)7-15/h1-5,11H,6-9H2
InChI Key	HDIIBLIJJMGOKC-UHFFFAOYSA-N
MDL Number	MFCD29059372
Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
SMILES	O=C(OCc1ccccc1)N1CC2CON=C2C1
Synonyms	1463484-39-0, Benzyl 3a,4-dihydro-3H-pyrrolo[3,4-c]isoxazole-5(6H)-carboxylate, Benzyl 3,3a,4,6-tetrahydropyrrolo[3,4-c]isoxazole-5-carboxylate, SCHEMBL15282473, HDIIBLIJJMGOKC-UHFFFAOYSA-N, MFCD29059372, CS-0037135, 3H-Pyrrolo[3,4-c]isoxazole-5(6H)-carboxylic acid, 3a,4-dihydro-, phenylmethyl ester,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.266g/mol
Monoisotopic Mass	246.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited