AG00A0MW

Name: 5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester
Brand: Angene Chemical
SKU: AG00A0MW

1416324-85-0 | 5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester

AG00A0MW

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

Request For Quotation

CAS Number	1416324-85-0
Catalog Number	AG00A0MW(AGN-PC-0WG4YU)
Chemical Name	5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester
IUPAC Name	hexyl 3,4,5-trihydroxy-2-methoxy-6-oxobenzo[7]annulene-8-carboxylate
InChI	InChI=1S/C19H22O7/c1-3-4-5-6-7-26-19(24)12-8-11-10-14(25-2)17(22)18(23)15(11)16(21)13(20)9-12/h8-10,22-23H,3-7H2,1-2H3,(H,20,21)
InChI Key	UBQFTTUFRSSOHE-UHFFFAOYSA-N
MDL Number	MFCD26406409
Molecular Formula	C19H22O7
Molecular Weight	362.3738
SMILES	O=C1C(O)=CC(C(OCCCCCC)=O)=CC2=C1C(O)=C(C(OC)=C2)O
Synonyms	CU CPT 22, 1416324-85-0, CU-CPT-22, SCHEMBL15560260, ZINC98052698, AKOS024458397, CU-CPT22, >=98% (HPLC), HY-108471, CS-0028870, 3,4,6-Trihydroxy-2-methoxy-5-oxo-5H-benzocycloheptene-8-carboxylic acid hexyl ester, 5H-Benzocycloheptene-8-carboxylic acid, 3,4,6-trihydroxy-2-methoxy-5-oxo-, hexyl ester,

Complexity	763
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	362.137g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	362.378g/mol
Monoisotopic Mass	362.137g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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