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89729-81-7 | Benzenamine, 3-methyl-4-(2-oxido-1,3,2-dioxathian-5-yl)-
CAS No: 89729-81-7 Catalog No: AG0041ZI MDL No:
Product Description
Catalog Number:
AG0041ZI
Chemical Name:
Benzenamine, 3-methyl-4-(2-oxido-1,3,2-dioxathian-5-yl)-
CAS Number:
89729-81-7
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
3-methyl-4-(2-oxo-1,3,2-dioxathian-5-yl)aniline
InChI:
InChI=1S/C10H13NO3S/c1-7-4-9(11)2-3-10(7)8-5-13-15(12)14-6-8/h2-4,8H,5-6,11H2,1H3
InChI Key:
QKBMOPKEIIIDLK-UHFFFAOYSA-N
SMILES:
O=S1OCC(CO1)c1ccc(cc1C)N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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