AG006GEL

693248-53-2 | 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid

AG006GEL

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CAS Number	693248-53-2
Catalog Number	AG006GEL(AGN-PC-0H8Z9P)
Chemical Name	3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
IUPAC Name	3-oxabicyclo[3.1.0]hexane-6-carboxylic acid
InChI	InChI=1S/C6H8O3/c7-6(8)5-3-1-9-2-4(3)5/h3-5H,1-2H2,(H,7,8)
InChI Key	JVRUZPDYVLRYQT-UHFFFAOYSA-N
MDL Number	MFCD13193581
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	C12C(C1COC2)C(=O)O
Synonyms	3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid, 693248-53-2, SCHEMBL1583863, CTK5C9424, KS-00000OEC, DTXSID40480362, JVRUZPDYVLRYQT-UHFFFAOYSA-N, ANW-49647, MFCD13193581, AKOS006387256, CS-W019723, GS-4089, RP19780, AK-31514, BR-31514, AB0026285, DB-013637, TR-037506, 4CH-010116, ST24028605, W7915, S-6950, J-512986, C6H8O3, trans-3-oxabicyclo[3.1.0]hexane-6-carboxylic acid, 89921-53-9,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number