AG0034RL

5471-77-2 | 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

AG0034RL

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CAS Number	5471-77-2
Catalog Number	AG0034RL(AGN-PC-03IZS8)
Chemical Name	3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid
IUPAC Name	3-ethoxy-2,2-dimethyl-3-oxopropanoic acid
InChI	InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)
InChI Key	WDWFSABLPAHCPF-UHFFFAOYSA-N
MDL Number	MFCD04003823
Molecular Formula	C7H12O4
Molecular Weight	160.1678
NSC Number	28452
SMILES	C(C)OC(C(C(=O)O)(C)C)=O
Synonyms	3-ethoxy-2,2-dimethyl-3-oxopropanoic acid, 5471-77-2, DIMETHYLMALONIC ACID MONOETHYL ESTER, NSC28452, PubChem22627, AC1L5MDB, AC1Q5ROS, Dimethylmalonsaureathylester, SCHEMBL1299895, CTK5A2411, DTXSID00282849, WDWFSABLPAHCPF-UHFFFAOYSA-N, CS-M2955, ZINC1646462, ANW-51435, CE-552, MFCD04003823, NSC 28452, NSC-28452, AKOS006279790, MCULE-1307363956, RP22328, TRA0085399, VZ31937, 2,2-dimethylmalonic acid monoethyl ester, AJ-28685, AK-26109, BR-26109, SC-50689, SY018092, 2,2-dimethyl-malonic acid monoethyl ester, 3-ethoxy-2,2-dimethyl-3-oxopropionic acid, AB0025430, ST2410661, TL8007300, TR-019352, 3-ethoxy-2,2-dimethyl-3-oxo-propionic acid, 4CH-001708, AM20080708, FT-0648259, W6894, S-5378, 3-(ethyloxy)-2,2-dimethyl-3-oxopropanoic acid, MFCD04003823 (95+%), Propanedioic acid,2,2-dimethyl-, 1-ethyl ester, 471E772, Propanedioic acid, 2,2-dimethyl-, 1-ethyl ester, J-512400, Z1540026650, C7H12O4, AR-1F2982, CID231754, ACN-034673, GS-4383, 3-ethoxy-2,2-dimethyl-3-oxopropanoicacid, 6331-49-3,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.169g/mol
Monoisotopic Mass	160.074g/mol
Rotatable Bond Count	4
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-P305+P351+P338
UN Code

Certificate of Analysis

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