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177711-20-5 | Benzoic acid, 3-(isocyanatosulfonyl)-, 2-propen-1-yl ester
CAS No: 177711-20-5 Catalog No: AG0025GM MDL No:
Product Description
Catalog Number:
AG0025GM
Chemical Name:
Benzoic acid, 3-(isocyanatosulfonyl)-, 2-propen-1-yl ester
CAS Number:
177711-20-5
Molecular Formula:
C11H9NO5S
Molecular Weight:
267.2579
IUPAC Name:
prop-2-enyl 3-isocyanatosulfonylbenzoate
InChI:
InChI=1S/C11H9NO5S/c1-2-6-17-11(14)9-4-3-5-10(7-9)18(15,16)12-8-13/h2-5,7H,1,6H2
InChI Key:
CFIAOLLEDFUYIA-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1cccc(c1)S(=O)(=O)N=C=O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.02g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.255g/mol
Monoisotopic Mass:
267.02g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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