AG000UJ7

13051-21-3 | Propanedioic acid, 2,2-dimethyl-, 1-methyl ester

AG000UJ7

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CAS Number	13051-21-3
Catalog Number	AG000UJ7(AGN-PC-01VCMD)
Chemical Name	Propanedioic acid, 2,2-dimethyl-, 1-methyl ester
IUPAC Name	3-methoxy-2,2-dimethyl-3-oxopropanoic acid
InChI	InChI=1S/C6H10O4/c1-6(2,4(7)8)5(9)10-3/h1-3H3,(H,7,8)
InChI Key	ZFYWXMJNWOVLMZ-UHFFFAOYSA-N
MDL Number	MFCD09833517
Molecular Formula	C6H10O4
Molecular Weight	146.1412
SMILES	COC(=O)C(C)(C)C(O)=O
Synonyms	3-Methoxy-2,2-dimethyl-3-oxopropanoic acid, 13051-21-3, 2,2-dimethyl-malonic acid monomethyl ester, 2,2-Dimethylmalonic acid monomethyl ester, 2,2-dimethylmalonicacidmonomethylester, SCHEMBL1010735, dimethylmalonic acid methyl ester, CTK4B6772, DTXSID90551819, Dimethylmalonic acid 1-methyl ester, ANW-45194, MFCD09833517, ZINC22010954, AKOS006328949, CS-W004424, RP21042, AJ-80452, AK-31798, BC222378, BR-31798, DS-11531, ST2417758, TX-011066, 4CH-014750, FT-0754897, X0146, 3-Methoxy-2,2-dimethyl-3-oxo-propanoic acid, S-5149, Propanedioic acid,2,2-dimethyl-, 1-methyl ester, J-506826, C6H10O4,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.058g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.142g/mol
Monoisotopic Mass	146.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number