AG003Q58

774-05-0 | Ethyl 2-oxo-cycloheptanecarboxylate

AG003Q58

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CAS Number	774-05-0
Catalog Number	AG003Q58(AGN-PC-05WREW)
Chemical Name	Ethyl 2-oxo-cycloheptanecarboxylate
IUPAC Name	ethyl 2-oxocycloheptane-1-carboxylate
InChI	InChI=1S/C10H16O3/c1-2-13-10(12)8-6-4-3-5-7-9(8)11/h8H,2-7H2,1H3
InChI Key	MKRBAWHVHOVBOQ-UHFFFAOYSA-N
MDL Number	MFCD00604086
Molecular Formula	C10H16O3
Molecular Weight	184.2322
NSC Number	131082
SMILES	C(=O)(OCC)C1C(=O)CCCCC1
Synonyms	ethyl 2-oxocycloheptanecarboxylate, 774-05-0, Ethyl 2-oxo-cycloheptanecarboxylate, 2-Oxo-cycloheptanecarboxylic acid ethyl ester, ethyl 2-oxocycloheptane-1-carboxylate, Cycloheptanecarboxylic acid, 2-oxo-, ethyl ester, NSC131082, 2-carbetoxycycloheptanone, 2-carbethoxycycloheptanone, 2-carboethoxycycloheptanone, 2-carbethoxy-cycloheptanone, 2-carboethoxy-cycloheptanone, AC1L5R0Z, AC1Q34IG, AC1Q6DF7, SCHEMBL3656801, Ethyl2-Oxocycloheptanecarboxylate, CTK2I0936, KS-00000BNH, DTXSID20299499, MKRBAWHVHOVBOQ-UHFFFAOYSA-N, ANW-46125, CO0017, MFCD00604086, AKOS003671428, AKOS016842450, MCULE-8781094992, NSC-131082, AN-47571, AS-49319, SC-90300, SY017443, AB0026678, DB-002201, DB-002227, TC-134870, 4CH-001105, FT-0688737, ST24030528, ST51031615, W8398, MFCD00604086 (95%), W-4028, 2-oxo-cycloheptane-1-carboxylic acid ethyl ester, 774O050, I14-0686, Q-103575, (E)-3-(furan-2-yl)acrylic acid, C10H16O3, AR-1I8545, CID279795, Ethyl 2-oxo-1-cyclooctanecarboxylate, ACN-029270, 1163298-06-3, 52784-32-4, 78433-82-6,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.11g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.235g/mol
Monoisotopic Mass	184.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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