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Home > Aldehydes > 1595586-04-1
1595586-04-1 | 4-(2-methylthiophen-3-yl)benzaldehyde
CAS No: 1595586-04-1 Catalog No: AG01C9ZN MDL No:
Product Description
Catalog Number:
AG01C9ZN
Chemical Name:
4-(2-methylthiophen-3-yl)benzaldehyde
CAS Number:
1595586-04-1
Molecular Formula:
C12H10OS
Molecular Weight:
202.2722
IUPAC Name:
4-(2-methylthiophen-3-yl)benzaldehyde
InChI:
InChI=1S/C12H10OS/c1-9-12(6-7-14-9)11-4-2-10(8-13)3-5-11/h2-8H,1H3
InChI Key:
XJLRLRSOAXSJQC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccsc1C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.045g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.271g/mol
Monoisotopic Mass:
202.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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