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87555-72-4 | [1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
CAS No: 87555-72-4 Catalog No: AG004MNT MDL No:
Product Description
Catalog Number:
AG004MNT
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2,4-dimethyl-, ethyl ester
CAS Number:
87555-72-4
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
ethyl 2,6-dimethyl-3-phenylbenzoate
InChI:
InChI=1S/C17H18O2/c1-4-19-17(18)16-12(2)10-11-15(13(16)3)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChI Key:
KBVAJXSKWALJAI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)ccc(c1C)c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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