AG00C2UB

2987-06-6 | 4-(Benzyloxy)cyclohexanone

AG00C2UB

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CAS Number	2987-06-6
Catalog Number	AG00C2UB(AGN-PC-0NDZRG)
Chemical Name	4-(Benzyloxy)cyclohexanone
IUPAC Name	4-phenylmethoxycyclohexan-1-one
InChI	InChI=1S/C13H16O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChI Key	FFGVIYUANJAFJS-UHFFFAOYSA-N
MDL Number	MFCD10697867
Molecular Formula	C13H16O2
Molecular Weight	204.2649
SMILES	O=C1CCC(OCC2=CC=CC=C2)CC1
Synonyms	4-(Benzyloxy)cyclohexanone, 2987-06-6, 4-Benzyloxycyclohexanone, 4-Benzyloxy-cyclohexanone, 4-(Phenylmethoxy)cyclohexanone, 4-(benzyloxy)cyclohexan-1-one, Cyclohexanone, 4-(phenylmethoxy)-, 4-benzoxycyclohexanone, 4-benzyloxy cyclohexanone, SCHEMBL416422, 1-(Benzyloxy)-4-oxocyclohexane, CTK4G3964, KS-00003SCD, DTXSID30450877, FFGVIYUANJAFJS-UHFFFAOYSA-N, 4-(Phenylmethoxy)cyclohexan-1-one, KS-00000QX7, FD6003, MFCD10697867, ZINC34590289, AKOS015906831, AB60690, CS-W005145, RL03033, SS-4801, AJ-89583, AK129534, SC-14568, SY032072, DB-068174, TX-011954, 4CH-022266, FT-0662935, ST24043038, MFCD10697867 (95%), J-200163, I14-21361, 4- cyclohexanone, 4-phenylmethoxycyclohexan-1-one, CID10987369, 4-Benzyloxy-cyclohexanone, 98% - 1G 1g,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

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