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Home > Aldehydes > 123698-37-3
123698-37-3 | Thiophenecarboxaldehyde, dimethyl-
CAS No: 123698-37-3 Catalog No: AG000KYX MDL No:
Product Description
Catalog Number:
AG000KYX
Chemical Name:
Thiophenecarboxaldehyde, dimethyl-
CAS Number:
123698-37-3
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
IUPAC Name:
3,4-dimethylthiophene-2-carbaldehyde
InChI:
InChI=1S/C7H8OS/c1-5-4-9-7(3-8)6(5)2/h3-4H,1-2H3
InChI Key:
BKJFHBZANQQLNO-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1C)C
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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