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Home > Aldehydes > 138474-49-4
138474-49-4 | 3-Thiophenecarboxaldehyde, 2-(phenylmethyl)-
CAS No: 138474-49-4 Catalog No: AG00198J MDL No:
Product Description
Catalog Number:
AG00198J
Chemical Name:
3-Thiophenecarboxaldehyde, 2-(phenylmethyl)-
CAS Number:
138474-49-4
Molecular Formula:
C12H10OS
Molecular Weight:
202.2722
IUPAC Name:
2-benzylthiophene-3-carbaldehyde
InChI:
InChI=1S/C12H10OS/c13-9-11-6-7-14-12(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChI Key:
AKRQZLJCKFGQBK-UHFFFAOYSA-N
SMILES:
O=Cc1ccsc1Cc1ccccc1
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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