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143869-68-5 | Butanedioic acid, 1-[[(2-hydroxyacetyl)oxy]methyl] 4-(phenylmethyl) ester
CAS No: 143869-68-5 Catalog No: AG001IHW MDL No:
Product Description
Catalog Number:
AG001IHW
Chemical Name:
Butanedioic acid, 1-[[(2-hydroxyacetyl)oxy]methyl] 4-(phenylmethyl) ester
CAS Number:
143869-68-5
Molecular Formula:
C14H16O7
Molecular Weight:
296.2726
IUPAC Name:
1-O-benzyl 4-O-[(2-hydroxyacetyl)oxymethyl] butanedioate
InChI:
InChI=1S/C14H16O7/c15-8-14(18)21-10-20-13(17)7-6-12(16)19-9-11-4-2-1-3-5-11/h1-5,15H,6-10H2
InChI Key:
ATBOKLMNOSIFDD-UHFFFAOYSA-N
SMILES:
OCC(=O)OCOC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.275g/mol
Monoisotopic Mass:
296.09g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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