AG001YPJ

1732-08-7 | Heptanedioic acid, 1,7-dimethyl ester

AG001YPJ

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CAS Number	1732-08-7
Catalog Number	AG001YPJ(AGN-PC-0JLBLR)
Chemical Name	Heptanedioic acid, 1,7-dimethyl ester
EC Number	217-057-4
IUPAC Name	dimethyl heptanedioate
InChI	InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
InChI Key	SHWINQXIGSEZAP-UHFFFAOYSA-N
MDL Number	MFCD00008470
Molecular Formula	C9H16O4
Molecular Weight	188.2209
NSC Number	52563
SMILES	COC(=O)CCCCCC(=O)OC
UNII	GE1PF3049F
Synonyms	Dimethyl pimelate, 1732-08-7, Dimethyl heptanedioate, Heptanedioic acid, dimethyl ester, Pimelic acid dimethyl ester, Pimelic acid, dimethyl ester, dimethyl 1,7-heptanedioate, Heptanedioic acid, 1,7-dimethyl ester, UNII-GE1PF3049F, GE1PF3049F, Heptanedioic Acid Dimethyl Ester, SHWINQXIGSEZAP-UHFFFAOYSA-N, MFCD00008470, 1ov5vo1, Dimethylpimelate, EINECS 217-057-4, NSC 52563, Pimelic acid dimethyl, ACMC-1BOFF, AI3-32541, AC1Q5ZYL, Dimethyl pimelate, 99%, Dimethyl pimelate, 98+%, 1,7-dimethyl heptanedioate, AC1L2LV9, SCHEMBL1286873, DTXSID8061925, CTK3J2576, Dimethyl ester of heptanedioic acid, NSC52563, ZINC1684095, 6613AH, NSC-52563, Pimelic acid, dimethyl ester (8CI), Heptanedioic acid,1,7-dimethyl ester, AKOS015839892, CS-W001472, FR-0156, FS-4247, MCULE-4367657579, RTR-033483, CJ-27778, SY049144, AB1007987, DB-029673, TR-033483, FT-0625045, MFCD00008470 (97%), P-6815, I14-53718, InChI=1/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H, C9H16O4, CID74416, AR-1C5024, C9-H16-O4, D4476, 17687-64-8,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.105g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.223g/mol
Monoisotopic Mass	188.105g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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