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87172-82-5 | Butanedioic acid, 2-(benzoyloxy)-3-hydroxy-, (2R,3R)-
CAS No: 87172-82-5 Catalog No: AG004T9F MDL No:
Product Description
Catalog Number:
AG004T9F
Chemical Name:
Butanedioic acid, 2-(benzoyloxy)-3-hydroxy-, (2R,3R)-
CAS Number:
87172-82-5
Molecular Formula:
C11H10O7
Molecular Weight:
254.1929
IUPAC Name:
(2R,3R)-2-benzoyloxy-3-hydroxybutanedioic acid
InChI:
InChI=1S/C11H10O7/c12-7(9(13)14)8(10(15)16)18-11(17)6-4-2-1-3-5-6/h1-5,7-8,12H,(H,13,14)(H,15,16)/t7-,8-/m1/s1
InChI Key:
JXXURQWKKCNUBH-HTQZYQBOSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)OC(=O)c1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.194g/mol
Monoisotopic Mass:
254.043g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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