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130196-86-0 | [1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-5-methyl-, ethyl ester
CAS No: 130196-86-0 Catalog No: AG000U3P MDL No:
Product Description
Catalog Number:
AG000U3P
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-hydroxy-5-methyl-, ethyl ester
CAS Number:
130196-86-0
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
ethyl 2-hydroxy-6-methyl-4-phenylbenzoate
InChI:
InChI=1S/C16H16O3/c1-3-19-16(18)15-11(2)9-13(10-14(15)17)12-7-5-4-6-8-12/h4-10,17H,3H2,1-2H3
InChI Key:
LIHXGJLPCFAQKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)cc(cc1O)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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