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823213-20-3 | 2H-1-Benzopyran-2-one, 3-[2-(methyleneamino)-4-thiazolyl]-
CAS No: 823213-20-3 Catalog No: AG0054J9 MDL No:
Product Description
Catalog Number:
AG0054J9
Chemical Name:
2H-1-Benzopyran-2-one, 3-[2-(methyleneamino)-4-thiazolyl]-
CAS Number:
823213-20-3
Molecular Formula:
C13H8N2O2S
Molecular Weight:
256.2798
IUPAC Name:
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
InChI:
InChI=1S/C13H8N2O2S/c1-14-13-15-10(7-18-13)9-6-8-4-2-3-5-11(8)17-12(9)16/h2-7H,1H2
InChI Key:
ITYADJVPWIOYLI-UHFFFAOYSA-N
SMILES:
C=Nc1scc(n1)c1cc2ccccc2oc1=O
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.279g/mol
Monoisotopic Mass:
256.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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