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929974-11-8 | (2E)-3-[3-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL]ACRYLIC ACID
CAS No: 929974-11-8 Catalog No: AG00GUCB MDL No:MFCD08691324
Product Description
Catalog Number:
AG00GUCB
Chemical Name:
(2E)-3-[3-[(2-METHYL-1,3-THIAZOL-4-YL)METHOXY]PHENYL]ACRYLIC ACID
CAS Number:
929974-11-8
Molecular Formula:
C14H13NO3S
Molecular Weight:
275.3229
MDL Number:
MFCD08691324
IUPAC Name:
(E)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C14H13NO3S/c1-10-15-12(9-19-10)8-18-13-4-2-3-11(7-13)5-6-14(16)17/h2-7,9H,8H2,1H3,(H,16,17)/b6-5+
InChI Key:
SZCCAEUQQGNSKX-AATRIKPKSA-N
SMILES:
OC(=O)C=Cc1cccc(c1)OCc1csc(n1)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
275.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.322g/mol
Monoisotopic Mass:
275.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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