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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-

OC(=O)C1COc2c(O1)cccc2 Request for Quotation
Chemical Name: 1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-
CAS Number: 3663-80-7
Product Number: AG003DME(AGN-PC-0JUY0G)
Synonyms:
MDL No:
Molecular Formula: C9H8O4
Molecular Weight: 180.1574

Identification/Properties

Properties
MP:
126-130 °C(lit.)
BP:
347.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
180.159g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
180.042g/mol
Monoisotopic Mass:
180.042g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2,3-Dihydrobenzo[b][1,4]dioxine-2-carboxylic acid is a versatile compound widely utilized in chemical synthesis for its unique structural characteristics and reactivity. As a building block in organic synthesis, it serves as a valuable intermediate in the preparation of various pharmaceuticals, agrochemicals, and other fine chemicals. Its functional groups enable the formation of diverse chemical bonds and the creation of complex molecular structures. This compound plays a crucial role in the creation of novel chemical entities through its participation in key reactions such as esterification, amidation, and cyclization. Its presence in synthetic pathways allows chemists to access a wide range of molecular scaffolds and tailor-made compounds for specific applications in drug discovery, material science, and other fields.