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141123-00-4 | 2-Propenoic acid, 3-(2-phenoxathiinylamino)-, methyl ester, (E)- (9CI)
CAS No: 141123-00-4 Catalog No: AG001FYO MDL No:
Product Description
Catalog Number:
AG001FYO
Chemical Name:
2-Propenoic acid, 3-(2-phenoxathiinylamino)-, methyl ester, (E)- (9CI)
CAS Number:
141123-00-4
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
methyl 3-(phenoxathiin-2-ylamino)prop-2-enoate
InChI:
InChI=1S/C16H13NO3S/c1-19-16(18)8-9-17-11-6-7-13-15(10-11)21-14-5-3-2-4-12(14)20-13/h2-10,17H,1H3
InChI Key:
UYPMNVIRPKGRON-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/Nc1ccc2c(c1)Sc1c(O2)cccc1
Properties
Complexity:
401
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:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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