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Home > Aldehydes > 137860-86-7
137860-86-7 | 3-Thiophenecarboxaldehyde, 4,5-dihydro-2-(4-methylphenyl)-
CAS No: 137860-86-7 Catalog No: AG0013Z3 MDL No:
Product Description
Catalog Number:
AG0013Z3
Chemical Name:
3-Thiophenecarboxaldehyde, 4,5-dihydro-2-(4-methylphenyl)-
CAS Number:
137860-86-7
Molecular Formula:
C12H12OS
Molecular Weight:
204.2881
IUPAC Name:
5-(4-methylphenyl)-2,3-dihydrothiophene-4-carbaldehyde
InChI:
InChI=1S/C12H12OS/c1-9-2-4-10(5-3-9)12-11(8-13)6-7-14-12/h2-5,8H,6-7H2,1H3
InChI Key:
ZPIMGKBHIURPJT-UHFFFAOYSA-N
SMILES:
O=CC1=C(SCC1)c1ccc(cc1)C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.287g/mol
Monoisotopic Mass:
204.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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