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923787-52-4 | 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS No: 923787-52-4 Catalog No: AG019Q1Z MDL No:MFCD08445018
Product Description
Catalog Number:
AG019Q1Z
Chemical Name:
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CAS Number:
923787-52-4
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD08445018
IUPAC Name:
3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzaldehyde
InChI:
InChI=1S/C12H11NO3S/c1-15-12-4-9(5-14)2-3-11(12)16-6-10-7-17-8-13-10/h2-5,7-8H,6H2,1H3
InChI Key:
JIJGWLHURVEHEX-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)ccc1OCc1cscn1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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