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276877-15-7 | Benzoic acid, 3-(4-methoxybenzoyl)-, ethyl ester
CAS No: 276877-15-7 Catalog No: AG002UGD MDL No:
Product Description
Catalog Number:
AG002UGD
Chemical Name:
Benzoic acid, 3-(4-methoxybenzoyl)-, ethyl ester
CAS Number:
276877-15-7
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
IUPAC Name:
ethyl 3-(4-methoxybenzoyl)benzoate
InChI:
InChI=1S/C17H16O4/c1-3-21-17(19)14-6-4-5-13(11-14)16(18)12-7-9-15(20-2)10-8-12/h4-11H,3H2,1-2H3
InChI Key:
JNRVAIGEOBVDFG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C(=O)c1ccc(cc1)OC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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