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113477-78-4 | 6H-1,3-Thiazine-4-methanol, 5-(1,3-dioxolan-2-yl)-2-phenyl-
CAS No: 113477-78-4 Catalog No: AG0008PG MDL No:
Product Description
Catalog Number:
AG0008PG
Chemical Name:
6H-1,3-Thiazine-4-methanol, 5-(1,3-dioxolan-2-yl)-2-phenyl-
CAS Number:
113477-78-4
Molecular Formula:
C14H15NO3S
Molecular Weight:
277.3388
IUPAC Name:
[5-(1,3-dioxolan-2-yl)-2-phenyl-6H-1,3-thiazin-4-yl]methanol
InChI:
InChI=1S/C14H15NO3S/c16-8-12-11(14-17-6-7-18-14)9-19-13(15-12)10-4-2-1-3-5-10/h1-5,14,16H,6-9H2
InChI Key:
OXPGSETZDDJKBO-UHFFFAOYSA-N
SMILES:
OCC1=C(CSC(=N1)c1ccccc1)C1OCCO1
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.338g/mol
Monoisotopic Mass:
277.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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