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140174-14-7 | 4-Thiomorpholinecarboxylic acid, phenylmethyl ester, 1,1-dioxide
CAS No: 140174-14-7 Catalog No: AG001C44 MDL No:MFCD12827975
Product Description
Catalog Number:
AG001C44
Chemical Name:
4-Thiomorpholinecarboxylic acid, phenylmethyl ester, 1,1-dioxide
CAS Number:
140174-14-7
Molecular Formula:
C12H15NO4S
Molecular Weight:
269.3168
MDL Number:
MFCD12827975
IUPAC Name:
benzyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
InChI:
InChI=1S/C12H15NO4S/c14-12(13-6-8-18(15,16)9-7-13)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
XFVKLOGLCAUHPR-UHFFFAOYSA-N
SMILES:
O=C(N1CCS(=O)(=O)CC1)OCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.315g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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