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158690-56-3 | Carbamic acid, N-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester
CAS No: 158690-56-3 Catalog No: AG001QRB MDL No:MFCD07776965
Product Description
Catalog Number:
AG001QRB
Chemical Name:
Carbamic acid, N-[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
158690-56-3
Molecular Formula:
C14H21NO5S
Molecular Weight:
315.3852
MDL Number:
MFCD07776965
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C14H21NO5S/c1-11-5-7-12(8-6-11)21(17,18)19-10-9-15-13(16)20-14(2,3)4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChI Key:
OWNIGLWHXOENAA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCOS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.384g/mol
Monoisotopic Mass:
315.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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