AG002RSW

261350-47-4 | 2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-

AG002RSW

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CAS Number	261350-47-4
Catalog Number	AG002RSW(AGN-PC-0NL2PL)
Chemical Name	2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-
IUPAC Name	4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)
InChI Key	RZZGDFMRRLFKRP-UHFFFAOYSA-N
MDL Number	MFCD10566736
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	C(=O)(O)c1c2c(no1)CCCC2
Synonyms	261350-47-4, 4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid, 4,5,6,7-Tetrahydrobenzo[c]isoxazole-3-carboxylic acid, 2,1-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-, 2,1-Benzisoxazole-3-carboxylicacid, 4,5,6,7-tetrahydro-, SCHEMBL3590392, CTK0J9654, DTXSID40579088, ALBB-009885, 8606AD, MFCD10566736, STK506114, ZINC34928918, AKOS005172466, MCULE-1590669990, RTR-061458, AJ-90407, TR-061458, FT-0646082, Y-6325, A818199, I14-3027, F2147-5458, Z2234185629, 4,5,6,7-tetrahydro-2,1-benzisoxazole-3-carboxylic acid, AldrichCPR, C8H9NO3, 2,1-Benzisoxazole-3-carboxylicacid,4,5,6,7-tetrahydro-, N/A,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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