AG00EAOF

6500-65-8 | 2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one

AG00EAOF

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CAS Number	6500-65-8
Catalog Number	AG00EAOF(AGN-PC-0JO045)
Chemical Name	2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one
IUPAC Name	2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI	InChI=1S/C12H14O2/c1-14-10-6-7-11-9(8-10)4-2-3-5-12(11)13/h6-8H,2-5H2,1H3
InChI Key	WLRMIOGKWITDNU-UHFFFAOYSA-N
MDL Number	MFCD07369971
Molecular Formula	C12H14O2
Molecular Weight	190.2384
NSC Number	105616
SMILES	O=C1CCCCC2=CC(OC)=CC=C21
Synonyms	6500-65-8, 2-methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one, 2-Methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one, 2-methoxy-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one, 2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-Methoxy-6,7,8,9-tetrohydro-benzocyclohepten-5-one, 5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-2-methoxy-, NSC105616, PubChem6355, AC1L6GVC, AC1Q6JQB, SCHEMBL1495967, KS-00000KOR, DTXSID10295809, WLRMIOGKWITDNU-UHFFFAOYSA-N, ACT02931, ZINC4962369, ANW-48029, CM-810, MFCD07369971, AKOS006343492, AC-6308, AS06648, FS-2264, NSC-105616, RP24999, AJ-52690, AK-44733, AN-10170, BR-44733, CJ-12348, SC-84665, AB0007153, ST2417021, TC-136774, 4CH-013583, CS-0069817, FT-0630032, V0502, S-5498, 500M658, J-509839, S14-2279, 3-methoxy-5,6,7,8-tetrahydro-benzo[7]annulen-9-one, 6,7,8,9-tetrahydro-2-methoxy-5h-benzocyclohepten-5-one, 2-methoxy-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-5-one, 2-methoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one, AldrichCPR, C12H14O2, AR-1E3143, CID266815, 6547-50-8,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.099g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number