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834861-05-1 | Acetic acid, [2-(benzoyloxy)-1-[(carboxymethoxy)methyl]ethoxy]-
CAS No: 834861-05-1 Catalog No: AG004RD1 MDL No:
Product Description
Catalog Number:
AG004RD1
Chemical Name:
Acetic acid, [2-(benzoyloxy)-1-[(carboxymethoxy)methyl]ethoxy]-
CAS Number:
834861-05-1
Molecular Formula:
C14H16O8
Molecular Weight:
312.2720
IUPAC Name:
2-[3-benzoyloxy-2-(carboxymethoxy)propoxy]acetic acid
InChI:
InChI=1S/C14H16O8/c15-12(16)8-20-6-11(21-9-13(17)18)7-22-14(19)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,16)(H,17,18)
InChI Key:
UGQYBDAZBFZOSN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCC(COCC(=O)O)OCC(=O)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.274g/mol
Monoisotopic Mass:
312.085g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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