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924876-56-2 | 3-{3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}prop-2-enoic acid
CAS No: 924876-56-2 Catalog No: AG019Q0C MDL No:MFCD08444926
Product Description
Catalog Number:
AG019Q0C
Chemical Name:
3-{3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}prop-2-enoic acid
CAS Number:
924876-56-2
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
MDL Number:
MFCD08444926
IUPAC Name:
3-[3-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C15H15NO4S/c1-10-16-12(9-21-10)8-20-15-11(6-7-14(17)18)4-3-5-13(15)19-2/h3-7,9H,8H2,1-2H3,(H,17,18)
InChI Key:
STVRRWBCNXJWRH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OCc1csc(n1)C)C=CC(=O)O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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