AG00DBVQ

51716-63-3 | cis-Bicyclo[3.3.0]octane-3,7-dione

AG00DBVQ

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CAS Number	51716-63-3
Catalog Number	AG00DBVQ(AGN-PC-0OBK5B)
Chemical Name	cis-Bicyclo[3.3.0]octane-3,7-dione
EC Number	257-357-2
IUPAC Name	1,3,3a,4,6,6a-hexahydropentalene-2,5-dione
InChI	InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
InChI Key	HAFQHNGZPQYKFF-UHFFFAOYSA-N
MDL Number	MFCD00003771
Molecular Formula	C8H10O2
Molecular Weight	138.1638
NSC Number	139193
SMILES	O=C(C[C@@]1([H])C2)C[C@]1([H])CC2=O
Synonyms	51716-63-3, cis-Bicyclo[3.3.0]octane-3,7-dione, tetrahydropentalene-2,5(1h,3h)-dione, 74513-16-9, cis-Tetrahydropentalene-2,5(1H,3H)-dione, TETRAHYDROPENTALENE-2,5-DIONE, octahydropentalene-2,5-dione, 2,5(1H,3H)-Pentalenedione, tetrahydro-, 2,5(1H,3H)-Pentalenedione, tetrahydro-, cis-, HAFQHNGZPQYKFF-OLQVQODUSA-N, bicyclo[3.3.0]octane-3,7-dione, AK198683, (3as,6as)-tetrahydropentalene-2,5(1H,3H)-dione, EINECS 257-357-2, NSC139193, ACMC-20aler, AC1Q6EGB, AC1Q6EGC, AC1L2UY1, (E)-1-(but-2-en-1-yloxy)-2-isopropylbenzene, SCHEMBL2074977, SCHEMBL2074979, SCHEMBL11957859, CTK4J4725, KS-00000FXP, DTXSID60199666, HAFQHNGZPQYKFF-UHFFFAOYSA-N, ZINC406950, bicyclo[3,3,0]octane-3,7-dione, KS-00000H5T, FCH831471, MFCD00003771, MFCD00071658, Tetrahydropentalene-2,5-dione, 95%, AKOS004909414, AKOS006230659, Cis-Bicyclo[3.3.0octane-3,7-dione, cis-Bicyclo(3.3.o)octane-3,7-dione, DS-8517, NSC-139193, SS-4821, Tetrahydro-2,5(1H,3H)-pentalenedione, 2,5(1H,3H)-Pentalenedione,tetrahydro-, AK173586, SY045496, ZB013708, (cis)-Bicyclo[3.3.0]octane-3,7-dione, cis- bicyclo[3. 3. 0]octan-3,7-dione, AX8153499, DB-052009, TC-167418, cis-tetrahydropentalene-2,5-(1H,3H)-dione, CS-0035677, FT-0080800, FT-0640019, FT-0650955, CIS-BICYCLO(3.3.0)OCTAN-3,7-DIONE, cis-Bicyclo[3.3.0]octane-3,7-dione, 99%, MFCD00003771 (97%), Tetrahydro-2,5(1H,3H)-pentalenedione, cis-, (3aalpha,6abeta)-Octahydropentalene-2,5-dione, 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione, 2,5(1H,3H)-Pentalenedione,tetrahydro-, cis-, EN300-182605, Z-4767, C-53445, I14-46680, Z1925930012, Tetrahydro-pentalene-2,5-dione, C8H10O2, AR-1L6433, C8-H10-O2, CID103526, ACN-037503, ACN-037504, 160592-66-5, 7801-71-0,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.166g/mol
Monoisotopic Mass	138.068g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number