AG0028J0

20291-40-1 | Heptanedioic acid, 1-methyl ester

AG0028J0

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CAS Number	20291-40-1
Catalog Number	AG0028J0(AGN-PC-0O78Q9)
Chemical Name	Heptanedioic acid, 1-methyl ester
EC Number	243-693-7
IUPAC Name	7-methoxy-7-oxoheptanoic acid
InChI	InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChI Key	YOLQOHRXBGFZED-UHFFFAOYSA-N
MDL Number	MFCD00040445
Molecular Formula	C8H14O4
Molecular Weight	174.1944
SMILES	COC(CCCCCC(=O)O)=O
Synonyms	7-Methoxy-7-oxoheptanoic acid, 20291-40-1, Monomethyl pimelate, Methyl hydrogen heptane-1,7-dioate, YOLQOHRXBGFZED-UHFFFAOYSA-N, EINECS 243-693-7, methyl hydrogen pimelate, AC1L3FSR, Pimelic acid 1-methyl ester, 6-methoxycarbonylhexanoic acid, AC1Q5W40, SCHEMBL3234162, CTK4E3796, Heptanedioic acid,1-methyl ester, DTXSID70174166, 7-Methoxy-7-oxoheptanoic acid #, ZINC2389934, 7-METHOXY-7-OXOHEPTANOICACID, MFCD00040445, AKOS025310560, CS-W001494, KS-0000007H, AS-44362, Heptanedioic acid, monomethyl ester, 6-(methoxycarbonyl)hexanoic acid, methylhydrogenheptane-1,7-dioate, CID88467, AR-1H3689, C8-H14-O4, 20706-76-7,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.089g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.196g/mol
Monoisotopic Mass	174.089g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P272-P280-P301+P312+P330-P302+P352-P333+P313-P363-P501
UN Code

Certificate of Analysis

Lot Number