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133360-69-7 | Propane, 1,3-diisocyano-2-(isocyanomethyl)-2-methyl-
CAS No: 133360-69-7 Catalog No: AG0014QI MDL No:
Product Description
Catalog Number:
AG0014QI
Chemical Name:
Propane, 1,3-diisocyano-2-(isocyanomethyl)-2-methyl-
CAS Number:
133360-69-7
Molecular Formula:
C8H9N3
Molecular Weight:
147.1772
IUPAC Name:
1,3-diisocyano-2-(isocyanomethyl)-2-methylpropane
InChI:
InChI=1S/C8H9N3/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1H3
InChI Key:
USRLHGTZQFPUDY-UHFFFAOYSA-N
SMILES:
CC(C[N+]#[C-])(C[N+]#[C-])C[N+]#[C-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.181g/mol
Monoisotopic Mass:
147.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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