AG00DED9

473-08-5 | 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS,7R)-

AG00DED9

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CAS Number	473-08-5
Catalog Number	AG00DED9(AGN-PC-0RV2TO)
Chemical Name	2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS,7R)-
IUPAC Name	(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChI	InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12-,15+/m1/s1
InChI Key	KUFXJZXMWHNCEH-DOMZBBRYSA-N
MDL Number	MFCD09839027
Molecular Formula	C15H22O
Molecular Weight	218.3346
SMILES	CC(C(CC[C@@](C)1CC2)=O)=C1C[C@@H]2C(C)=C
UNII	ZL24SG1C2D
Synonyms	alpha-cyperone, alpha-Cyperone, 473-08-5, Eudesma-4,11-dien-3-one, UNII-ZL24SG1C2D, ZL24SG1C2D, (4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one, (4aS-cis)-4,4a,5,6,7,8-Hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-2(3H)-naphthalenone, (+)-alpha-Cyperone, AC1O54O7, SCHEMBL8170833, CHEMBL1939885, DTXSID60197086, HY-N0710, ZINC1708728, MFCD09839027, AKOS015916225, CS-5967, 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-, AJ-30733, AN-45141, O920, SC-82561, AB3000032, FT-0688346, N2589, ST24047200, C17090, 473C085, I14-51677, UNII-ZL24SG1C2D component KUFXJZXMWHNCEH-DOMZBBRYSA-N, (4aS,7R)-7-isopropenyl-1,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one, 2(3H)-Naphthalenone,4,4a,5,6,7,8-hexahydro-1,4a-dimethyl-7-(1-methylethenyl)-, (4aS,7R)-, |A-Cyperone, Cyperone, alpha, C15H22O, C15-H22-O, NSC118866, | inverted exclamation mark-CYPERONE, ACN-035271, CID6452086, A15413,

Complexity	375
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	218.167g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.34g/mol
Monoisotopic Mass	218.167g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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