1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-


Chemical Name: 1H-Indene-1-carboxylic acid, 2,3-dihydro-3-oxo-
CAS Number: 29427-69-8
Product Number: AG002YCY(AGN-PC-0JM3U6)
Synonyms:
MDL No:
Molecular Formula: C10H8O3
Molecular Weight: 176.1687

Identification/Properties


Properties
MP:
111-113 °C(lit.)
BP:
365°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
176.171g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.047g/mol
Monoisotopic Mass:
176.047g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
247
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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