5-Benzofurancarboxylic acid, 2,3-dihydro-


Chemical Name: 5-Benzofurancarboxylic acid, 2,3-dihydro-
CAS Number: 76429-73-7
Product Number: AG003FJ3(AGN-PC-0JUSQW)
Synonyms:
MDL No: MFCD00085012
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Properties
MP:
185 °C
BP:
336.553°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The chemical structure of 5-Benzofurancarboxylic acid, 2,3-dihydro- (C9H8O3) is as follows: ``` O // H-C-C-COOH \/ H ``` This structure represents a benzofuran ring fused with a carboxylic acid group at the 5-position and a hydrogen atom at the 2,3-dihydro position.