AG0037WY

3903-40-0 | 12-Methoxy-12-oxododecanoic acid

AG0037WY

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CAS Number	3903-40-0
Catalog Number	AG0037WY(AGN-PC-03UMJF)
Chemical Name	12-Methoxy-12-oxododecanoic acid
IUPAC Name	12-methoxy-12-oxododecanoic acid
InChI	InChI=1S/C13H24O4/c1-17-13(16)11-9-7-5-3-2-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)
InChI Key	REGGDLIBDASKGE-UHFFFAOYSA-N
MDL Number	MFCD00053323
Molecular Formula	C13H24O4
Molecular Weight	244.3273
NSC Number	29000
SMILES	COC(CCCCCCCCCCC(=O)O)=O
Synonyms	12-methoxy-12-oxododecanoic acid, Dodecanedioic acid monomethyl ester, 3903-40-0, Dodecanedioic Acid 1-Methyl Ester, AK326455, 11MeOCO undec acid, monomethyl-dodecanedioate, AC1L5MX5, AC1Q5W8F, methyl hydrogen dodecanedioate, SCHEMBL2341702, Jsp006794, CTK1C5487, monomethyl dodecane-1,12-dioate, DTXSID60282966, REGGDLIBDASKGE-UHFFFAOYSA-N, 12-methoxy-12-oxo-dodecanoic acid, EST12/13, KS-00000KK7, NSC29000, ZINC1651887, 11-(Methoxycarbonyl)undecanoic acid, DT1628, MFCD00053323, NSC-29000, methyl hydrogen dodecane-1,12-dioate, AKOS027250609, LS41653, 1,12-Dodecanedioic acid monomethyl ester, DS-11864, OR313077, AB0075865, AX8033505, TX-017550, FT-0667763, X-3352, Dodecanedioicacidmonomethylester, AR-1C0676, CID231998, 51112-64-2,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.167g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.331g/mol
Monoisotopic Mass	244.167g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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