AG003QFA

1070-62-8 | 5-Ethoxy-5-oxopentanoic acid

AG003QFA

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CAS Number	1070-62-8
Catalog Number	AG003QFA(AGN-PC-03I8S1)
Chemical Name	5-Ethoxy-5-oxopentanoic acid
EC Number	213-977-5
IUPAC Name	5-ethoxy-5-oxopentanoic acid
InChI	InChI=1S/C7H12O4/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3,(H,8,9)
InChI Key	MYMNBFURSYZQBR-UHFFFAOYSA-N
MDL Number	MFCD00014379
Molecular Formula	C7H12O4
Molecular Weight	160.1678
SMILES	O=C(O)CCCC(OCC)=O
Synonyms	Ethyl hydrogen glutarate, 1070-62-8, 5-ethoxy-5-oxopentanoic acid, Glutaric Acid Monoethyl Ester, MFCD00014379, AK486985, 5-ethoxy-5-oxo-pentanoic acid, EINECS 213-977-5, Ethyl glutarate,mono, ACMC-20akx9, AI3-06343, AC1L24NN, AC1Q34RN, KSC493I1D, SCHEMBL395290, Pentanedioic acid 1-ethyl ester, CTK3J3411, Pentanedioic acid monoethyl ester, DTXSID20147865, MYMNBFURSYZQBR-UHFFFAOYSA-N, ZINC2015911, 6808AJ, AKOS009031518, MCULE-2798972740, RL00305, VZ32205, 5-ethoxy-5-oxidanylidene-pentanoic acid, KS-0000028W, AS-10455, BP-13014, CC-28152, OR322209, SY036401, AB1003837, RT-001460, FT-0625775, G0271, MFCD00014379 (97%), A801567, C-03959, Glutaric acid monoethyl ester; Monoethyl glutarate, J-521249, MONOETHYL GLUTARATE, Pentanedioic acid, monoethyl ester, C7H12O4, CID66114, C7-H12-O4,

Complexity	141
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	6
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number