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116761-24-1 | Butanoic acid, 3-(phenylmethoxy)-, methyl ester, (3R)-
CAS No: 116761-24-1 Catalog No: AG000D7O MDL No:MFCD23703097
Product Description
Catalog Number:
AG000D7O
Chemical Name:
Butanoic acid, 3-(phenylmethoxy)-, methyl ester, (3R)-
CAS Number:
116761-24-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD23703097
IUPAC Name:
methyl (3R)-3-phenylmethoxybutanoate
InChI:
InChI=1S/C12H16O3/c1-10(8-12(13)14-2)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m1/s1
InChI Key:
JXBBMSDQNOELFF-SNVBAGLBSA-N
SMILES:
COC(=O)C[C@H](OCc1ccccc1)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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