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338414-39-4 | (3E)-3-(methoxyimino)-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
CAS No: 338414-39-4 Catalog No: AG00IOOF MDL No:MFCD00974290
Product Description
Catalog Number:
AG00IOOF
Chemical Name:
(3E)-3-(methoxyimino)-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
CAS Number:
338414-39-4
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
MDL Number:
MFCD00974290
IUPAC Name:
3-methoxyimino-1-(2-phenyl-1,3-thiazol-5-yl)propan-1-one
InChI:
InChI=1S/C13H12N2O2S/c1-17-15-8-7-11(16)12-9-14-13(18-12)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
VBXJGHDNRIWDQT-UHFFFAOYSA-N
SMILES:
CO/N=C/CC(=O)c1cnc(s1)c1ccccc1
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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