AG003OXM

21170-10-5 | cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione

AG003OXM

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CAS Number	21170-10-5
Catalog Number	AG003OXM(AGN-PC-0O7TJL)
Chemical Name	cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione
EC Number	244-255-8
IUPAC Name	3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione
InChI	InChI=1S/C10H14O2/c1-9-3-7(11)5-10(9,2)6-8(12)4-9/h3-6H2,1-2H3
InChI Key	KGZWVKASYOPUET-UHFFFAOYSA-N
MDL Number	MFCD00003772
Molecular Formula	C10H14O2
Molecular Weight	166.2170
SMILES	C[C@]12CC(=O)C[C@@]1(C)CC(=O)C2
Synonyms	21170-10-5, cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, 3a,6a-dimethylperhydropentalene-2,5-dione, cis-3a,6a-Dimethyltetrahydropentalene-2,5(1H,3H)-dione, cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione, 3a,6a-Dimethyltetrahydro-2,5(1H,3H)-pentalenedione, NSC634714, 3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione, 53731-21-8, (3ar,6ar)-3a,6a-dimethyltetrahydropentalene-2,5(1H,3H)-dione, NSC254944, zlchem 111, ACMC-20alfk, PubChem6298, Maybridge1_002437, AC1L3HX6, AC1Q6EF0, DivK1c_001189, SCHEMBL2706623, SCHEMBL14016355, CTK1G0292, CTK4E6004, HMS548G17, DTXSID70175411, ZLB0100, ZINC135410, ACT05773, KS-000029VY, EINECS 244-255-8, FCH831742, MFCD00003772, AKOS006230082, AKOS016013571, MCULE-3911946734, NSC-254944, NSC-634714, PS-3177, ACM25137842, CDS1_000149, AJ-12265, BP-11491, SC-02427, U895, ZB004761, DB-007359, TC-167447, TL8001762, 3a,6a-dimethyl-octahydropentalene-2,5-dione, FT-0600922, ST50308460, 1,5-dimethylbicyclo[3.3.0]octane-3,7-dione, K-6096, 170D105, A815183, S14-0607, 1beta,5beta-Dimethylbicyclo[3.3.0]octane-3,7-dione, (3ar,6ar)-3a,6a-dimethyl-octahydropentalene-2,5-dione, (3as,6as)-3a,6a-dimethyl-tetrahydropentalene-2,5-dione, 2,5(1H,3H)-Pentalenedione, tetrahydro-3a,6a-dimethyl-, 5-Ethyl-3',5'-bis-(p-chlorobenzoyl)-2'-b-deoxyuridine, 5-Ethyl-3',5'-bis-(4-chlorobenzoyl)-2'-beta-deoxyuridine, cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, >=98%, cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, 97%, 2,5(1H,3H)-Pentalenedione,tetrahydro-3a,6a-dimethyl-, cis-, 3a,6a-dimethyl-1,3,4,6,3a,6a-hexahydropentalene-2,5-dione, 3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-dione, C10H14O2, CID89460, AR-1F1533, CB11098, (Z)-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, 3a,6a-dimethyltetrahydropentalene-2,5(1H,3H)-dione, 25137-84-2, 21693-95-8,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.099g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.22g/mol
Monoisotopic Mass	166.099g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number