AG0076H7

40590-77-0 | 1-(Bicyclo[2.2.2]oct-5-en-2-yl)ethanone

AG0076H7

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CAS Number	40590-77-0
Catalog Number	AG0076H7(AGN-PC-0JP5AP)
Chemical Name	1-(Bicyclo[2.2.2]oct-5-en-2-yl)ethanone
IUPAC Name	1-(2-bicyclo[2.2.2]oct-5-enyl)ethanone
InChI	InChI=1S/C10H14O/c1-7(11)10-6-8-2-4-9(10)5-3-8/h2,4,8-10H,3,5-6H2,1H3
InChI Key	QPPGEPODNBLBTG-UHFFFAOYSA-N
MDL Number	MFCD24688674
Molecular Formula	C10H14O
Molecular Weight	150.2176
NSC Number	133388
SMILES	CC(C1C(CC2)C=CC2C1)=O
Synonyms	1-(bicyclo[2.2.2]oct-5-en-2-yl)ethanone, 40590-77-0, 1-{bicyclo[2.2.2]oct-5-en-2-yl}ethan-1-one, 1-(bicyclo[2.2.2]oct-5-en-2-yl)ethan-1-one, NSC133388, AC1L5TGV, AC1Q5D75, SCHEMBL8996504, CTK4I3378, DTXSID00299871, QPPGEPODNBLBTG-UHFFFAOYSA-N, KS-00000SN4, MFCD24688674, AKOS024462964, DS-3220, NSC-133388, AK162850, 1-(2-bicyclo[2.2.2]oct-5-enyl)ethanone, 1-(5-bicyclo[2.2.2]oct-2-enyl)ethanone, ST24037555, Ethanone,1-bicyclo[2.2.2]oct-5-en-2-yl-, KST-1B4048, AR-1B2707, CID280965, 4084-34-8,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.104g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.221g/mol
Monoisotopic Mass	150.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	3
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number