AG003BUK

Name: (4aS,8aR)-2-Benzoyloctahydro-6(2H)-isoquinolinone
Brand: Angene Chemical
SKU: AG003BUK

52390-26-8 | (4aS,8aR)-2-Benzoyloctahydro-6(2H)-isoquinolinone

AG003BUK

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CAS Number	52390-26-8
Catalog Number	AG003BUK(AGN-PC-0SCMYF)
Chemical Name	(4aS,8aR)-2-Benzoyloctahydro-6(2H)-isoquinolinone
IUPAC Name	(4aS,8aR)-2-benzoyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
InChI	InChI=1S/C16H19NO2/c18-15-7-6-14-11-17(9-8-13(14)10-15)16(19)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2/t13-,14-/m0/s1
InChI Key	OSZFDJVZOKTWRW-KBPBESRZSA-N
MDL Number	MFCD08276277
Molecular Formula	C16H19NO2
Molecular Weight	257.3276
SMILES	O=C(N1CC[C@H]2CC(=O)CC[C@H]2C1)C1=CC=CC=C1
Synonyms	52390-26-8, (4aS,8aR)-2-Benzoyloctahydro-6(2H)-isoquinolinone, (4AS,8aR)-2-benzoyloctahydroisoquinolin-6(2H)-one, SCHEMBL7323967, CTK8B1814, DTXSID60482984, ZINC1598862, ANW-31453, MFCD08276277, AKOS015839090, TR-018590, B2420, -2-BENZOYLOCTAHYDRO-6 -ISOQUINOLINONE,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	257.142g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	257.333g/mol
Monoisotopic Mass	257.142g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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