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852851-67-3 | 4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid
CAS No: 852851-67-3 Catalog No: AG019O8F MDL No:MFCD06655656
Product Description
Catalog Number:
AG019O8F
Chemical Name:
4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid
CAS Number:
852851-67-3
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
MDL Number:
MFCD06655656
IUPAC Name:
4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoic acid
InChI:
InChI=1S/C16H13NO3S/c18-15(19)8-7-11(10-12-4-3-9-20-12)16-17-13-5-1-2-6-14(13)21-16/h1-6,9-10H,7-8H2,(H,18,19)
InChI Key:
FTNZCNLGUCNOKN-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=Cc1ccco1)c1nc2c(s1)cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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