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14754-47-3 | Isocyanatosulfuric acid, 4-methoxyphenyl ester
CAS No: 14754-47-3 Catalog No: AG001EZC MDL No:
Product Description
Catalog Number:
AG001EZC
Chemical Name:
Isocyanatosulfuric acid, 4-methoxyphenyl ester
CAS Number:
14754-47-3
Molecular Formula:
C8H7NO5S
Molecular Weight:
229.2099
IUPAC Name:
(4-methoxyphenyl) N-(oxomethylidene)sulfamate
InChI:
InChI=1S/C8H7NO5S/c1-13-7-2-4-8(5-3-7)14-15(11,12)9-6-10/h2-5H,1H3
InChI Key:
BLGJTCYKECGAJQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OS(=O)(=O)N=C=O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.206g/mol
Monoisotopic Mass:
229.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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