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1375068-97-5 | [1,1'-Biphenyl]-3-acetic acid, 4'-(ethoxycarbonyl)-, ethyl ester
CAS No: 1375068-97-5 Catalog No: AG0013G0 MDL No:MFCD22205802
Product Description
Catalog Number:
AG0013G0
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 4'-(ethoxycarbonyl)-, ethyl ester
CAS Number:
1375068-97-5
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
MDL Number:
MFCD22205802
IUPAC Name:
ethyl 4-[3-(2-ethoxy-2-oxoethyl)phenyl]benzoate
InChI:
InChI=1S/C19H20O4/c1-3-22-18(20)13-14-6-5-7-17(12-14)15-8-10-16(11-9-15)19(21)23-4-2/h5-12H,3-4,13H2,1-2H3
InChI Key:
XPURNHDUQKEISG-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cccc(c1)c1ccc(cc1)C(=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:
3.9
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