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861772-69-2 | 1,3,5-Pentanetricarboxylic acid, 3-acetyl-, 3-ethyl 1,5-dimethyl ester
CAS No: 861772-69-2 Catalog No: AG004KUB MDL No:
Product Description
Catalog Number:
AG004KUB
Chemical Name:
1,3,5-Pentanetricarboxylic acid, 3-acetyl-, 3-ethyl 1,5-dimethyl ester
CAS Number:
861772-69-2
Molecular Formula:
C14H22O7
Molecular Weight:
302.3203
IUPAC Name:
3-O-ethyl 1-O,5-O-dimethyl 3-acetylpentane-1,3,5-tricarboxylate
InChI:
InChI=1S/C14H22O7/c1-5-21-13(18)14(10(2)15,8-6-11(16)19-3)9-7-12(17)20-4/h5-9H2,1-4H3
InChI Key:
YZDRUIYOZHJJBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C)(CCC(=O)OC)CCC(=O)OC
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.323g/mol
Monoisotopic Mass:
302.137g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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