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124937-62-8 | Benzenepropanoic acid, 2-methoxy-5-methyl-β-phenyl-, methyl ester
CAS No: 124937-62-8 Catalog No: AG000MW9 MDL No:MFCD06658941
Product Description
Catalog Number:
AG000MW9
Chemical Name:
Benzenepropanoic acid, 2-methoxy-5-methyl-β-phenyl-, methyl ester
CAS Number:
124937-62-8
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
MDL Number:
MFCD06658941
IUPAC Name:
methyl 3-(2-methoxy-5-methylphenyl)-3-phenylpropanoate
InChI:
InChI=1S/C18H20O3/c1-13-9-10-17(20-2)16(11-13)15(12-18(19)21-3)14-7-5-4-6-8-14/h4-11,15H,12H2,1-3H3
InChI Key:
BJQJPTJDNINOMT-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1cc(C)ccc1OC)c1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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