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4123-18-6 | 2-Propenoicacid,3-(2-benzothiazolyl)-(9CI)
CAS No: 4123-18-6 Catalog No: AG00D5Z3 MDL No:
Product Description
Catalog Number:
AG00D5Z3
Chemical Name:
2-Propenoicacid,3-(2-benzothiazolyl)-(9CI)
CAS Number:
4123-18-6
IUPAC Name:
3-(1,3-benzothiazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H7NO2S/c12-10(13)6-5-9-11-7-3-1-2-4-8(7)14-9/h1-6H,(H,12,13)
InChI Key:
LLWKVCNWFMPGGM-UHFFFAOYSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.231g/mol
Monoisotopic Mass:
205.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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