AG01DTQA

Name: octahydro-2-benzofuran-1-one
Brand: Angene Chemical
SKU: AG01DTQA

2611-01-0 | octahydro-2-benzofuran-1-one

AG01DTQA

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CAS Number	2611-01-0
Catalog Number	AG01DTQA(AGN-PC-0CO3B3)
Chemical Name	octahydro-2-benzofuran-1-one
IUPAC Name	3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
InChI	InChI=1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2
InChI Key	WLYUMBPDHPMKHM-UHFFFAOYSA-N
MDL Number	MFCD20265680
Molecular Formula	C8H12O2
Molecular Weight	140.1797
SMILES	C1(OCC2CCCCC12)=O
Synonyms	hexahydrophthalide, 2611-01-0, 1-Isobenzofuranone, hexahydro-, 8-oxabicyclo[4,3,0]nonane-7-one, 7702-72-9, Octahydroisobenzofuran-1-one, hexahydro-isobenzofuran-l-one, SCHEMBL47305, Hexahydro-isobenzofuran-1-one, 3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one, AC1L811Q, Hexahydro-1(3H)-isobenzofuranone, WLYUMBPDHPMKHM-UHFFFAOYSA-N, hexahydro 1-(3H)-isobenzofuranone, 3-oxabicyclo[3.4.0]nonan-2-one, Hexahydro-2-benzofuran-1(3H)-one, NSC401690, NSC404854, AKOS015908009, MCULE-3625572177, NSC-401690, NSC-404854, 3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one, NSC57636, CID344653,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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