AG01AI82

Name: 8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one
Brand: Angene Chemical
SKU: AG01AI82

141106-39-0 | 8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one

AG01AI82

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CAS Number	141106-39-0
Catalog Number	AG01AI82(AGN-PC-0NKVS1)
Chemical Name	8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one
IUPAC Name	8,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-one
InChI	InChI=1S/C12H14O2/c1-8-5-6-10-11(13)4-3-7-14-12(10)9(8)2/h5-6H,3-4,7H2,1-2H3
InChI Key	FDQIYTHBATUZJQ-UHFFFAOYSA-N
MDL Number	MFCD11104774
Molecular Formula	C12H14O2
Molecular Weight	190.2384
SMILES	CC1=C(C)C2=C(C(CCCO2)=O)C=C1
Synonyms	8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one, 141106-39-0, ZINC34974989, AKOS009326453, MCULE-7779715728, NE61291, EN300-76992, Z1258943389,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.09938g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.24g/mol
Monoisotopic Mass	190.09938g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26.3Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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