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52509-15-6 | 5-(1,3-DIOXOLAN-2-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 52509-15-6 Catalog No: AG01DWH1 MDL No:MFCD24674096
Product Description
Catalog Number:
AG01DWH1
Chemical Name:
5-(1,3-DIOXOLAN-2-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
52509-15-6
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD24674096
IUPAC Name:
5-(1,3-dioxolan-2-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H8O3S/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h1-2,5,8H,3-4H2
InChI Key:
OXGRKJQYAPAJKZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)C1OCCO1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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