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24807-40-7 | Benzenepropanoic acid, 4-(phenylmethoxy)-, methyl ester
CAS No: 24807-40-7 Catalog No: AG002PHV MDL No:MFCD01570983
Product Description
Catalog Number:
AG002PHV
Chemical Name:
Benzenepropanoic acid, 4-(phenylmethoxy)-, methyl ester
CAS Number:
24807-40-7
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
MDL Number:
MFCD01570983
IUPAC Name:
methyl 3-(4-phenylmethoxyphenyl)propanoate
InChI:
InChI=1S/C17H18O3/c1-19-17(18)12-9-14-7-10-16(11-8-14)20-13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3
InChI Key:
XAAMAAXKDLWBKO-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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