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74924-27-9 | Propanoic acid, 2-methyl-3-(phenylmethoxy)-, methyl ester, (S)-
CAS No: 74924-27-9 Catalog No: AG005GFP MDL No:
Product Description
Catalog Number:
AG005GFP
Chemical Name:
Propanoic acid, 2-methyl-3-(phenylmethoxy)-, methyl ester, (S)-
CAS Number:
74924-27-9
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
methyl (2S)-2-methyl-3-phenylmethoxypropanoate
InChI:
InChI=1S/C12H16O3/c1-10(12(13)14-2)8-15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/t10-/m0/s1
InChI Key:
HJSABQZRAXEJNQ-JTQLQIEISA-N
SMILES:
COC(=O)[C@H](COCc1ccccc1)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:
2
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