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178306-47-3 | Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, methyl ester
CAS No: 178306-47-3 Catalog No: AG0025XF MDL No:MFCD09833706
Product Description
Catalog Number:
AG0025XF
Chemical Name:
Benzenepropanoic acid, α-hydroxy-β-methoxy-β-phenyl-, methyl ester
CAS Number:
178306-47-3
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD09833706
IUPAC Name:
methyl 2-hydroxy-3-methoxy-3,3-diphenylpropanoate
InChI:
InChI=1S/C17H18O4/c1-20-16(19)15(18)17(21-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChI Key:
BEPLSLADXOJCBY-UHFFFAOYSA-N
SMILES:
COC(C(C(=O)OC)O)(c1ccccc1)c1ccccc1
EC Number:
605-819-2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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