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83413-86-9 | 2,2-DIMETHYL-2,5-DIHYDROTHIOPHENE-3-CARBALDEHYDE
CAS No: 83413-86-9 Catalog No: AG01DWP4 MDL No:MFCD24681716
Product Description
Catalog Number:
AG01DWP4
Chemical Name:
2,2-DIMETHYL-2,5-DIHYDROTHIOPHENE-3-CARBALDEHYDE
CAS Number:
83413-86-9
Molecular Formula:
C7H10OS
Molecular Weight:
142.2187
MDL Number:
MFCD24681716
IUPAC Name:
5,5-dimethyl-2H-thiophene-4-carbaldehyde
InChI:
InChI=1S/C7H10OS/c1-7(2)6(5-8)3-4-9-7/h3,5H,4H2,1-2H3
InChI Key:
XIADMCMCKIBOHE-UHFFFAOYSA-N
SMILES:
O=CC1=CCSC1(C)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.045g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.216g/mol
Monoisotopic Mass:
142.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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