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89069-01-2 | Benzoic acid, 2-[[4-(ethoxycarbonyl)phenyl]methyl]-, ethyl ester
CAS No: 89069-01-2 Catalog No: AG0041A9 MDL No:
Product Description
Catalog Number:
AG0041A9
Chemical Name:
Benzoic acid, 2-[[4-(ethoxycarbonyl)phenyl]methyl]-, ethyl ester
CAS Number:
89069-01-2
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
ethyl 2-[(4-ethoxycarbonylphenyl)methyl]benzoate
InChI:
InChI=1S/C19H20O4/c1-3-22-18(20)15-11-9-14(10-12-15)13-16-7-5-6-8-17(16)19(21)23-4-2/h5-12H,3-4,13H2,1-2H3
InChI Key:
FRIXYPXZUIFTOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Cc1ccccc1C(=O)OCC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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