AG003S5I

626-86-8 | 6-Ethoxy-6-oxohexanoic acid

AG003S5I

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CAS Number	626-86-8
Catalog Number	AG003S5I(AGN-PC-0LW2CY)
Chemical Name	6-Ethoxy-6-oxohexanoic acid
EC Number	210-966-7
IUPAC Name	6-ethoxy-6-oxohexanoic acid
InChI	InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChI Key	UZNLHJCCGYKCIL-UHFFFAOYSA-N
MDL Number	MFCD00004419
Molecular Formula	C8H14O4
Molecular Weight	174.1944
NSC Number	8877
SMILES	CCOC(=O)CCCCC(O)=O
Synonyms	adipic acid monoethyl ester, monoethyl adipate, Adipic acid monoethyl ester, 6-Ethoxy-6-oxohexanoic acid, 626-86-8, Monoethyl adipate, Ethyl hydrogen adipate, Monoethyl hexanedioate, Hexanedioic acid, monoethyl ester, Monoethyladipic acid ester, ADIPIC ACID, MONOETHYL ESTER, Mono-ethyl adipate, Hexanedioic acid, 1-ethyl ester, NSC 8877, EINECS 210-966-7, Ethyl adipate monethyl ester, BRN 1769469, Hexanoic acid, monoethyl ester, AI3-11210, UZNLHJCCGYKCIL-UHFFFAOYSA-N, GEO-00054, MFCD00004419, W-104966, MonoethylAdipate, Ethyl adipatemone, ethyl adipate mono, Ethyl adipate mone, Mono ethyl adipate, 2-ethylhexanedioate, ethyl adipate (mono), Adipic acid 1-ethyl ester, AC1L1ZA6, AC1Q34RS, AC1Q34RT, adipic acid mono ethyl ester, 6-eEhoxy-6-oxohexanoic acid, KSC489S5P, SCHEMBL391807, 6-ethoxy-6-oxo-hexanoic acid, 6-ethoxy-6-keto-hexanoic acid, 6-Ethoxy-6-oxohexanoic acid #, 5-(ethoxycarbonyl)pentanoic acid, CTK3I9957, Hexane dioic acid monoethyl ester, NSC8877, Adipic acid monoethyl ester, 97%, NSC-8877, ZINC1648296, ANW-66472, SBB065980, AKOS005254558, Hexanoic acid, monoethyl ester (9CI), CS-W020587, RL04385, TRA-0183655, AJ-28744, AK-45250, AN-46872, LS-15263, SY036142, AX8005446, ST2418946, TC-155217, TL8004233, A1223, FT-0621923, MFCD00004419 (97%), 626A868, C-05835, I04-1024, 9J6, C8H14O4, CID12295, C8-H14-O4, mono-Ethyl adipate, 98% - 25G 25g, A8664, 4-02-00-01960 (Beilstein Handbook Reference),

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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