AG003S0C

Name: Methyl guaiazulene-3-carboxylate
Brand: Angene Chemical
SKU: AG003S0C

39665-58-2 | Methyl guaiazulene-3-carboxylate

AG003S0C

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CAS Number	39665-58-2
Catalog Number	AG003S0C(AGN-PC-00Q18U)
Chemical Name	Methyl guaiazulene-3-carboxylate
IUPAC Name	methyl 3,8-dimethyl-5-propan-2-ylazulene-1-carboxylate
InChI	InChI=1S/C17H20O2/c1-10(2)13-7-6-11(3)16-14(9-13)12(4)8-15(16)17(18)19-5/h6-10H,1-5H3
InChI Key	ZBFWLEOAFONVHI-UHFFFAOYSA-N
MDL Number	MFCD06204039
Molecular Formula	C17H20O2
Molecular Weight	256.3395
SMILES	COC(=O)c1cc(c2-c1c(C)ccc(c2)C(C)C)C
Synonyms	39665-58-2, Methyl 5-isopropyl-3,8-dimethylazulene-1-carboxylate, Methyl guaiazulene-3-carboxylate, C17H20O2, CTK8C5260, DTXSID30576122, 5214AB, ANW-74927, MFCD06204039, ZINC40456618, AKOS015910121, AJ-103259, AX8243255, TR-036700, I14-31174, Methyl 3,8-dimethyl-5-(propan-2-yl)azulene-1-carboxylate, 3,8-Dimethyl-5-isopropylazulene-1-carboxylic acid methyl ester, B-2800,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.146g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.345g/mol
Monoisotopic Mass	256.146g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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