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338981-72-9 | (1,3-thiazol-5-yl)methyl (2E)-3-phenylprop-2-enoate
CAS No: 338981-72-9 Catalog No: AG00ISXI MDL No:MFCD01568574
Product Description
Catalog Number:
AG00ISXI
Chemical Name:
(1,3-thiazol-5-yl)methyl (2E)-3-phenylprop-2-enoate
CAS Number:
338981-72-9
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD01568574
IUPAC Name:
1,3-thiazol-5-ylmethyl 3-phenylprop-2-enoate
InChI:
InChI=1S/C13H11NO2S/c15-13(16-9-12-8-14-10-17-12)7-6-11-4-2-1-3-5-11/h1-8,10H,9H2
InChI Key:
WOQRFVWAGYMIME-UHFFFAOYSA-N
SMILES:
O=C(OCc1cncs1)/C=C/c1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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