AG005Q61

Name: 4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
Brand: Angene Chemical
SKU: AG005Q61

72653-14-6 | 4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid

AG005Q61

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CAS Number	72653-14-6
Catalog Number	AG005Q61(AGN-PC-0U1554)
Chemical Name	4-Acetyl-4-(ethoxycarbonyl)heptanedioic acid
IUPAC Name	4-acetyl-4-ethoxycarbonylheptanedioic acid
InChI	InChI=1S/C12H18O7/c1-3-19-11(18)12(8(2)13,6-4-9(14)15)7-5-10(16)17/h3-7H2,1-2H3,(H,14,15)(H,16,17)
InChI Key	OYYWSHUPASUUHF-UHFFFAOYSA-N
MDL Number	MFCD00052373
Molecular Formula	C12H18O7
Molecular Weight	274.2671
SMILES	CC(C(CCC(O)=O)(C(OCC)=O)CCC(O)=O)=O
Synonyms	4-ACETYL-4-(ETHOXYCARBONYL)HEPTANEDIOIC ACID, 72653-14-6, 4-acetyl-4-ethoxycarbonylheptanedioic acid, 4-Acetyl-4-(ethoxycarbonyl)heptanedioicacid, 4-Acetyl-4-(ethoxy carbonyl)heptane dioic acid, CDS1_000022, AC1MCQOJ, Maybridge1_002310, DivK1c_001062, SCHEMBL2454546, CTK5D6622, HMS548A22, DTXSID80379786, OYYWSHUPASUUHF-UHFFFAOYSA-N, 1,3,5-Pentanetricarboxylic acid, 3-acetyl-, 3-ethyl ester, ACT03922, KS-000019TY, ZINC2169286, ZX-AT022200, 1264AC, MFCD00052373, SBB066018, AKOS015892789, AS-9700, CCG-242595, MCULE-6273016075, OR22879, 4-Acetyl-4-(ethoxycarbonyl)pimelic acid, AJ-33964, TZ000860, Ethyl 2,2-bis(2-carboxyethyl)acetoacetate, AX8093423, DB-004253, A9439, CS-0038862, FT-0617396, I04-1143, 1,3,5-Pentanetricarboxylicacid, 3-acetyl-, 3-ethyl ester, 3-Acetyl-3-(ethoxycarbonyl)pentane-1,5-dicarboxylic acid, C12H18O7, CID2776054,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.105g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.269g/mol
Monoisotopic Mass	274.105g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited