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145354-81-0 | 1,3-Dioxolane-4-carboxylic acid, 2-[(benzoyloxy)methyl]-, (2S,4S)-
CAS No: 145354-81-0 Catalog No: AG001KUL MDL No:
Product Description
Catalog Number:
AG001KUL
Chemical Name:
1,3-Dioxolane-4-carboxylic acid, 2-[(benzoyloxy)methyl]-, (2S,4S)-
CAS Number:
145354-81-0
Molecular Formula:
C12H12O6
Molecular Weight:
252.2201
IUPAC Name:
2-(benzoyloxymethyl)-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C12H12O6/c13-11(14)9-6-16-10(18-9)7-17-12(15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)
InChI Key:
RHZLHXQYUVIGGE-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CO[C@@H](O1)COC(=O)c1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.222g/mol
Monoisotopic Mass:
252.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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