AG003M09

40649-36-3 | 4-Propylcyclohexanone

AG003M09

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CAS Number	40649-36-3
Catalog Number	AG003M09(AGN-PC-0JMSNL)
Chemical Name	4-Propylcyclohexanone
EC Number	406-810-4
IUPAC Name	4-propylcyclohexan-1-one
InChI	InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChI Key	NQEDLIZOPMNZMC-UHFFFAOYSA-N
MDL Number	MFCD00058690
Molecular Formula	C9H16O
Molecular Weight	140.2227
SMILES	C(CC)C1CCC(=O)CC1
UNII	9735699W19
Synonyms	4-Propylcyclohexanone, 40649-36-3, 4-propylcyclohexan-1-one, 4-n-Propylcyclohexanone, Cyclohexanone, 4-propyl-, 4-propyl-1-cyclohexanone, UNII-9735699W19, NQEDLIZOPMNZMC-UHFFFAOYSA-N, MFCD00058690, 9735699W19, 4-Propylcyclohexanon, 4-propyl-cyclohexanone, PubChem14023, ACMC-1ARVJ, 4beta-Propylcyclohexanone, 4-n-propyl-cyclohexanone, EC 406-810-4, AC1L3L7R, DSSTox_CID_28173, DSSTox_RID_82733, DSSTox_GSID_48198, KSC490E6J, SCHEMBL178387, CHEMBL3187245, DTXSID9048198, CTK3J0264, 4-Propylcyclohexanone, >=99.0%, ACT05145, ZINC2522708, Tox21_303343, ANW-29466, SBB008421, AKOS000120239, ACN-036221, CS-W002273, FR-2028, MCULE-4621155554, PS-5320, RTR-016232, TRA0042009, NCGC00257308-01, AJ-37222, AK-41694, BR-41694, CJ-08772, L772, SY009654, AB0006427, AB1010068, CAS-40649-36-3, DB-009045, TR-016232, FT-0619442, P1849, ST24029209, ST50823711, S-4464, MFCD00058690 (97+%), A825216, I14-5839, Z57073962, C9H16O, CID142482, ZINC02522708, 4-Propylcyclohexanone, 99.5% - 100G 100g,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.12g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.226g/mol
Monoisotopic Mass	140.12g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227-H315-H412
Packing Group	Ⅲ
Precautionary statements	P210-P273-P280
UN Code	UN 1993

Certificate of Analysis

Lot Number