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19487-68-4 | 3-Butenal,4-(2-benzothiazolyl)-(8CI)
CAS No: 19487-68-4 Catalog No: AG00AXCP MDL No:
Product Description
Catalog Number:
AG00AXCP
Chemical Name:
3-Butenal,4-(2-benzothiazolyl)-(8CI)
CAS Number:
19487-68-4
IUPAC Name:
(E)-4-(1,3-benzothiazol-2-yl)but-3-enal
InChI:
InChI=1S/C11H9NOS/c13-8-4-3-7-11-12-9-5-1-2-6-10(9)14-11/h1-3,5-8H,4H2/b7-3+
InChI Key:
QKENTYAUHIMCSD-XVNBXDOJSA-N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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