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923758-02-5 | 3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS No: 923758-02-5 Catalog No: AG019Q04 MDL No:MFCD08444918
Product Description
Catalog Number:
AG019Q04
Chemical Name:
3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS Number:
923758-02-5
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
MDL Number:
MFCD08444918
IUPAC Name:
3,5-dimethoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
InChI:
InChI=1S/C13H13NO4S/c1-16-11-3-9(5-15)4-12(17-2)13(11)18-6-10-7-19-8-14-10/h3-5,7-8H,6H2,1-2H3
InChI Key:
VRTGGVSCKKJSHD-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OCc1cscn1)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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