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114784-19-9 | Butanoic acid, 3-hydroxy-4-(phenylmethoxy)-, methyl ester, (3R)-
CAS No: 114784-19-9 Catalog No: AG000F7N MDL No:
Product Description
Catalog Number:
AG000F7N
Chemical Name:
Butanoic acid, 3-hydroxy-4-(phenylmethoxy)-, methyl ester, (3R)-
CAS Number:
114784-19-9
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
methyl (3R)-3-hydroxy-4-phenylmethoxybutanoate
InChI:
InChI=1S/C12H16O4/c1-15-12(14)7-11(13)9-16-8-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3/t11-/m1/s1
InChI Key:
CCZLIOHIMSFAIF-LLVKDONJSA-N
SMILES:
COC(=O)C[C@H](COCc1ccccc1)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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