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851395-17-0 | 4,7-Methano-1H-indene, octahydro-2,5-diisocyanato-
CAS No: 851395-17-0 Catalog No: AG004N6S MDL No:
Product Description
Catalog Number:
AG004N6S
Chemical Name:
4,7-Methano-1H-indene, octahydro-2,5-diisocyanato-
CAS Number:
851395-17-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
4,8-diisocyanatotricyclo[5.2.1.02,6]decane
InChI:
InChI=1S/C12H14N2O2/c15-5-13-8-3-9-7-1-11(10(9)4-8)12(2-7)14-6-16/h7-12H,1-4H2
InChI Key:
NMLPOMYJCKHTER-UHFFFAOYSA-N
SMILES:
O=C=NC1CC2C(C1)C1CC2C(C1)N=C=O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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