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Home > Aldehydes > 129746-42-5
129746-42-5 | Benzaldehyde, 3-(3-thienyl)-
CAS No: 129746-42-5 Catalog No: AG000TN1 MDL No:MFCD04039150
Product Description
Catalog Number:
AG000TN1
Chemical Name:
Benzaldehyde, 3-(3-thienyl)-
CAS Number:
129746-42-5
Molecular Formula:
C11H8OS
Molecular Weight:
188.2456
MDL Number:
MFCD04039150
IUPAC Name:
3-thiophen-3-ylbenzaldehyde
InChI:
InChI=1S/C11H8OS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-8H
InChI Key:
HOQKGZHXQLZFBT-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cscc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.244g/mol
Monoisotopic Mass:
188.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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