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88380-93-2 | Carbonic acid, 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]ethylmethyl ester
CAS No: 88380-93-2 Catalog No: AG004FRD MDL No:
Product Description
Catalog Number:
AG004FRD
Chemical Name:
Carbonic acid, 2-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]ethylmethyl ester
CAS Number:
88380-93-2
Molecular Formula:
C16H18NO5S-
Molecular Weight:
336.3828
IUPAC Name:
3-[5-(dimethylamino)naphthalen-1-yl]sulfonylpropyl carbonate
InChI:
InChI=1S/C16H19NO5S/c1-17(2)14-8-3-7-13-12(14)6-4-9-15(13)23(20,21)11-5-10-22-16(18)19/h3-4,6-9H,5,10-11H2,1-2H3,(H,18,19)/p-1
InChI Key:
BZUFOKJTWQXKIU-UHFFFAOYSA-M
SMILES:
[O-]C(=O)OCCCS(=O)(=O)c1cccc2c1cccc2N(C)C
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.091g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.382g/mol
Monoisotopic Mass:
336.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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