AG001MEX

1502-22-3 | Cyclohexanone, 2-(1-cyclohexen-1-yl)-

AG001MEX

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CAS Number	1502-22-3
Catalog Number	AG001MEX(AGN-PC-0JLCMZ)
Chemical Name	Cyclohexanone, 2-(1-cyclohexen-1-yl)-
EC Number	216-120-3
IUPAC Name	2-(cyclohexen-1-yl)cyclohexan-1-one
InChI	InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
InChI Key	GVNVAWHJIKLAGL-UHFFFAOYSA-N
MDL Number	MFCD00013796
Molecular Formula	C12H18O
Molecular Weight	178.2707
NSC Number	518776
SMILES	O=C1CCCCC1C2=CCCCC2
Synonyms	2-(1-cyclohexenyl)cyclohexanone, 1502-22-3, 2-(1-Cyclohexenyl)cyclohexanone, CHCH, 2-Cyclohexenylcyclohexanone, 2-(1-Cyclohexen-1-yl)cyclohexan-1-one, Cyclohexanone, 2-(1-cyclohexen-1-yl)-, 1,1'-bi(cyclohexan)-1-en-2-one, [1,1'-Bi(cyclohexan)]-1'-en-2-one, 2-(Cyclohex-1-enyl)cyclohexanone, 2-(1-Cyclohexen-1-yl)cyclohexanone, 2-(cyclohex-1-en-1-yl)cyclohexan-1-one, Cyclohexanone, 2-(cyclohexenyl)-, GVNVAWHJIKLAGL-UHFFFAOYSA-N, MFCD00013796, 2-cyclohex-1-enylcyclohexan-1-one, l6vtj b- al6utj, EINECS 216-120-3, NSC 518776, AI3-28148, AC1Q6EOU, AC1Q6EOV, AC1Q6KSL, AC1L2Q9L, KSC215C8H, SCHEMBL130772, ACMC-209d45, CTK1B5183, GVNVAWHJIKLAGL-UHFFFAOYSA-, 2-(1-cyclohexenyl) cyclohexanone, 2-(cyclohexen-1-yl)cyclohexanone, BICYCLOHEXYL-1'-EN-2-ONE, ALBB-006575, KS-00000UI8, 2-(1-cyclohexenyl)cyclohexan-1-one, 4645AD, ANW-21267, NSC518776, SBB007681, STK500258, 1,1'-bi(cyclohexan)-1'-en-2-one, 2-(1-cyclohexenyl)-cyclohexan-1-one, 2-(cyclohexen-1-yl)cyclohexan-1-one, AKOS008996651, AKOS025243295, FR-0104, LS40586, MCULE-5216294937, NSC-518776, RTR-006123, TRA0038420, AN-49342, DB-019363, TR-006123, BB 0254694, C1160, FT-0608366, ST50408049, EN300-36445, Y-9722, I14-21067, Z87002464, 38055-02-6, InChI=1/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2, UNII-KLP9AR22U2, KLP9AR22U2, C12H18O, AR-1J2924, C12-H18-O, CID101175, 2-(1-Cyclohexenyl)cyclohexanone, Tech., 2 - (1 - cyclohexen - 1 - yl)cyclohexan - 1 - one, 1524-87-4,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.136g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.275g/mol
Monoisotopic Mass	178.136g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number