Methyl Indane-2-carboxylate - CAS 4254-32-4

Catalog:	BB025162
Product Name:	Methyl Indane-2-carboxylate
CAS:	4254-32-4
Synonyms:	2,3-dihydro-1H-indene-2-carboxylic acid methyl ester; methyl 2,3-dihydro-1H-indene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2,3-dihydro-1H-indene-2-carboxylate
Description:	Methyl Indane-2-carboxylate (CAS# 4254-32-4) is a useful research chemical.
Molecular Weight:	176.21
Molecular Formula:	C11H12O2
Canonical SMILES:	COC(=O)C1CC2=CC=CC=C2C1
InChI:	InChI=1S/C11H12O2/c1-13-11(12)10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3
InChI Key:	RMOPJLIMRSAIMD-UHFFFAOYSA-N
MDL:	MFCD09907632
LogP:	1.57440

Publication Number	Title	Priority Date
WO-2021191240-A1	Combination therapy	20200324
EP-3628666-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
EP-3628672-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064173-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064174-A1	Indane derivatives for use in the treatment of bacterial infection	20180925

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Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.083729621
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	176.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1