CAS 192637-88-0 | [1,1'-Biphenyl]-2-carboxylic acid, 2'-methyl-, ethyl ester | CAS Number 192637-88-0

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192637-88-0 | [1,1'-Biphenyl]-2-carboxylic acid, 2'-methyl-, ethyl ester

CAS No: 192637-88-0 Catalog No: AG002G5B MDL No:

Product Description

Catalog Number:

AG002G5B

Chemical Name:

[1,1'-Biphenyl]-2-carboxylic acid, 2'-methyl-, ethyl ester

CAS Number:

192637-88-0

Molecular Formula:

C16H16O2

Molecular Weight:

240.2970

IUPAC Name:

ethyl 2-(2-methylphenyl)benzoate

InChI:

InChI=1S/C16H16O2/c1-3-18-16(17)15-11-7-6-10-14(15)13-9-5-4-8-12(13)2/h4-11H,3H2,1-2H3

InChI Key:

JWLVYIROMAIGIL-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1ccccc1c1ccccc1C

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.302g/mol

Monoisotopic Mass:

240.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1

Literature

Title	Journal
Computer--based drug design, synthesis and biological evaluation of new pyrimidinone derivatives linked to arylpiperazine and 2'-carbethoxy-biphenylylmethyl moeities as alpha1-adrenoceptor antagonists and angiotensin II AT1 receptor antagonists.	Die Pharmazie 20101101