Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate

HCID 312866CAS 22955-77-7

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Basic information

Standard SMILES: COC(=O)C1Cc2ccccc2C1=O
InChIKey: YBKCOFSJGXNOKP-UHFFFAOYSA-N
Molecular formula: C11H10O3
Average molar mass: 190.19 g/mol
Monoisotopic mass: 190.06299418

Names & identifiers

Preferred name: Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate
IUPAC: methyl 3-oxo-1,2-dihydroindene-2-carboxylate
English name: Methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylate
Molecular formula: C11H10O3
Molecular weight: 190.2

Names & synonyms

22955-77-7methyl 1-oxo-2,3-dihydro-1H-indene-2-carboxylateDTXSID80310295RefChem:1089252DTXCID90261421Methyl 1-Oxoindane-2-carboxylate1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-, methyl esterMFCD00667641methyl 3-oxo-1,2-dihydroindene-2-carboxylate1-OXO-INDAN-2-CARBOXYLIC ACID METHYL ESTERNSC2250502-methoxycarbonyl-1-indanone

Show more names

methyl 1-indanone-2-carboxylate1-oxy-2,3-dihydro-1H--2-methyl formateMethyl 2,3-dihydro-1-oxo-1H-indene-2-carboxylate3-oxo-1,2-dihydroindene-2-carboxylic acid methyl ester

SCHEMBL1000380SCHEMBL29476747Methyl 1-oxo-2-indanecarboxylateMethyl (1-oxo)indan-2-carboxylateMethyl 1-oxo-2-indanecarboxylate #AKOS006273111NSC-225050DS-11352

Database identifiers

CAS: 22955-77-7
PubChem CID: 312866
DTXSID: DTXSID80310295
EC Number: 104-166-6
Nikkaji: J344.259D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 59 · 59-60 °C
Boiling point: 297.5 · 297.5±19.0 °C(Predicted)
Density: 1.246 · 1.246±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 10.34 · 10.34±0.20(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-[(E)-2-Carboxyethenyl]benzoic acid Benzoic acid, 2-(3-methoxy-3-oxo-1-propen-1-yl)-, methyl ester 1H-Inden-1-one, 2-[bis(methylthio)methylene]-2,3-dihydro-ethyl 1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate METHYL PENTAFLUOROPHENYL CARBONATE Methyl cinnamate Methanol Carbon dioxide 1-Indanone Iodomethane Dimethyl carbonate 2-Naphthol

Suppliers35 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

Related reactions

5 records

New reaction record

HRID 398329As productuspto-grants-2003_08

HRID 816887As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 850014As productuspto-grants-2000_01

HRID 2304010As productuspto-grants-2002_08

HRID 2341969As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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