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19010-96-9 | Undecane, 1-isothiocyanato-
CAS No: 19010-96-9 Catalog No: AG002EC2 MDL No:
Product Description
Catalog Number:
AG002EC2
Chemical Name:
Undecane, 1-isothiocyanato-
CAS Number:
19010-96-9
Molecular Formula:
C12H23NS
Molecular Weight:
213.3827
IUPAC Name:
1-isothiocyanatoundecane
InChI:
InChI=1S/C12H23NS/c1-2-3-4-5-6-7-8-9-10-11-13-12-14/h2-11H2,1H3
InChI Key:
CFGGVVRPLBWNDW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCN=C=S
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.155g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.383g/mol
Monoisotopic Mass:
213.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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