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1432620-96-6 | 3-(2-ACETYLTHIOPHEN-3-YL)BENZALDEHYDE
CAS No: 1432620-96-6 Catalog No: AG01CA0S MDL No:MFCD24396194
Product Description
Catalog Number:
AG01CA0S
Chemical Name:
3-(2-ACETYLTHIOPHEN-3-YL)BENZALDEHYDE
CAS Number:
1432620-96-6
Molecular Formula:
C13H10O2S
Molecular Weight:
230.2823
MDL Number:
MFCD24396194
IUPAC Name:
3-(2-acetylthiophen-3-yl)benzaldehyde
InChI:
InChI=1S/C13H10O2S/c1-9(15)13-12(5-6-16-13)11-4-2-3-10(7-11)8-14/h2-8H,1H3
InChI Key:
LGMGYJRYZCEPOK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccsc1C(=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.281g/mol
Monoisotopic Mass:
230.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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