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1768-24-7 | Cyanic acid, butyl ester
CAS No: 1768-24-7 Catalog No: AG0024XB MDL No:
Product Description
Catalog Number:
AG0024XB
Chemical Name:
Cyanic acid, butyl ester
CAS Number:
1768-24-7
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
IUPAC Name:
butyl cyanate
InChI:
InChI=1S/C5H9NO/c1-2-3-4-7-5-6/h2-4H2,1H3
InChI Key:
BUYFTHAFJHAUCZ-UHFFFAOYSA-N
SMILES:
CCCCOC#N
Properties
Complexity:
71.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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