Methyl 2-oxo-1-indanecarboxylate - CAS 104620-34-0

Name: Methyl 2-oxo-1-indanecarboxylate
Brand: BOC Sciences
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Catalog:	BB001438
Product Name:	Methyl 2-oxo-1-indanecarboxylate
CAS:	104620-34-0
Synonyms:	methyl 2-oxo-1,3-dihydroindene-1-carboxylate

Technical Data

IUPAC Name:	methyl 2-oxo-1,3-dihydroindene-1-carboxylate
Description:	Methyl 2-oxo-1-indanecarboxylate (CAS# 104620-34-0) is a useful research chemical compound.
Molecular Weight:	190.20
Molecular Formula:	C11H10O3
Canonical SMILES:	COC(=O)C1C(=O)CC2=CC=CC=C12
InChI:	InChI=1S/C11H10O3/c1-14-11(13)10-8-5-3-2-4-7(8)6-9(10)12/h2-5,10H,6H2,1H3
InChI Key:	RWSYHHRDYRDVQL-UHFFFAOYSA-N
Boiling Point:	311.3 °C at 760 mmHg
Melting Point:	65-69 °C (lit.)
Purity:	95 %
Density:	1.246 g/cm³
Solubility:	Slightly soluble in water
Appearance:	White to pale brown solid
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD06200715
LogP:	1.06840

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019193179-A1	Photochemical reactor type device	20180406
WO-2014051674-A1	Rubber article with elastomeric silicone coating	20120926
CN-103842441-A	Iron(iii) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts	20111004
CN-103842441-B	Iron content (III) complex compound and condensation catalyst, prepare the method for this catalyzer and the composition containing this catalyzer	20111004
EP-2764052-A2	Iron(iii) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts	20111004

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.062994177
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4