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146611-83-8 | Butanoic acid, 3-(benzoyloxy)-, methyl ester, (3R)-
CAS No: 146611-83-8 Catalog No: AG001E6X MDL No:
Product Description
Catalog Number:
AG001E6X
Chemical Name:
Butanoic acid, 3-(benzoyloxy)-, methyl ester, (3R)-
CAS Number:
146611-83-8
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
[(2R)-4-methoxy-4-oxobutan-2-yl] benzoate
InChI:
InChI=1S/C12H14O4/c1-9(8-11(13)15-2)16-12(14)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChI Key:
UIYSAAZZRFIBQR-SECBINFHSA-N
SMILES:
COC(=O)C[C@H](OC(=O)c1ccccc1)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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