CAS 1603-79-8 | Benzeneacetic acid, α-oxo-, ethyl ester | CAS Number 1603-79-8

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1603-79-8 | Benzeneacetic acid, α-oxo-, ethyl ester

CAS No: 1603-79-8 Catalog No: AG001RUA MDL No:MFCD00009120

Product Description

Catalog Number:

AG001RUA

Chemical Name:

Benzeneacetic acid, α-oxo-, ethyl ester

CAS Number:

1603-79-8

Molecular Formula:

C10H10O3

Molecular Weight:

178.1846

MDL Number:

MFCD00009120

IUPAC Name:

ethyl 2-oxo-2-phenylacetate

InChI:

InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key:

QKLCQKPAECHXCQ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(=O)c1ccccc1

EC Number:

216-504-0

NSC Number:

6766

Properties

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.187g/mol

Monoisotopic Mass:

178.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling.	The Journal of organic chemistry 20100521
Biochemical characterization of a recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius.	Extremophiles : life under extreme conditions 20100301
Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones.	Organic & biomolecular chemistry 20080907
A practical synthesis of (S)-2-cyclohexyl-2-phenylglycolic acid via organocatalytic asymmetric construction of a tetrasubstituted carbon center.	Organic letters 20051027
Synthesis of new derivatives of 8-aryl-3-phenyl-6,7-dihydro-4H-imidazo[2, 1-c][1,2,4]triazin-4-one.	Acta poloniae pharmaceutica 20040101
Synthesis and asymmetric reducing performance of chitin/dihydronicotinamide conjugates having glycine or L-leucine spacer arms.	Biomacromolecules 20020101