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886509-08-6 | 5-(3-Dimethoxymethyl-phenyl)-thiophene-2-carbaldehyde
CAS No: 886509-08-6 Catalog No: AG01EYHD MDL No:
Product Description
Catalog Number:
AG01EYHD
Chemical Name:
5-(3-Dimethoxymethyl-phenyl)-thiophene-2-carbaldehyde
CAS Number:
886509-08-6
Molecular Formula:
C14H14O3S
Molecular Weight:
262.3242
IUPAC Name:
5-[3-(dimethoxymethyl)phenyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C14H14O3S/c1-16-14(17-2)11-5-3-4-10(8-11)13-7-6-12(9-15)18-13/h3-9,14H,1-2H3
InChI Key:
VJBYVHZZMCTEFZ-UHFFFAOYSA-N
SMILES:
COC(c1cccc(c1)c1ccc(s1)C=O)OC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.323g/mol
Monoisotopic Mass:
262.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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