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88144-81-4 | 1,2-Benzenedicarboxylicacid, 1-[2-(carboxymethyl)-5-oxohexyl] ester
CAS No: 88144-81-4 Catalog No: AG004GCZ MDL No:
Product Description
Catalog Number:
AG004GCZ
Chemical Name:
1,2-Benzenedicarboxylicacid, 1-[2-(carboxymethyl)-5-oxohexyl] ester
CAS Number:
88144-81-4
Molecular Formula:
C16H18O7
Molecular Weight:
322.3099
IUPAC Name:
2-[2-(carboxymethyl)-5-oxohexoxy]carbonylbenzoic acid
InChI:
InChI=1S/C16H18O7/c1-10(17)6-7-11(8-14(18)19)9-23-16(22)13-5-3-2-4-12(13)15(20)21/h2-5,11H,6-9H2,1H3,(H,18,19)(H,20,21)
InChI Key:
FMUGCWAAFQYYKY-UHFFFAOYSA-N
SMILES:
OC(=O)CC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.105g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.313g/mol
Monoisotopic Mass:
322.105g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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