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22968-45-2 | 2-Selenophenecarboxylic acid
CAS No: 22968-45-2 Catalog No: AG002LQR MDL No:
Product Description
Catalog Number:
AG002LQR
Chemical Name:
2-Selenophenecarboxylic acid
CAS Number:
22968-45-2
Molecular Formula:
C5H4O2Se
Molecular Weight:
175.0441
IUPAC Name:
selenophene-2-carboxylic acid
InChI:
InChI=1S/C5H4O2Se/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChI Key:
WAQBFLCVNNZBQR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc[se]1
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.938g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.056g/mol
Monoisotopic Mass:
175.938g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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