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115743-97-0 | Tricyclo[2.2.1.02,6]heptane,3-isocyanato-5-(isocyanatomethyl)- (9CI)
CAS No: 115743-97-0 Catalog No: AG000GTE MDL No:
Product Description
Catalog Number:
AG000GTE
Chemical Name:
Tricyclo[2.2.1.02,6]heptane,3-isocyanato-5-(isocyanatomethyl)- (9CI)
CAS Number:
115743-97-0
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-isocyanato-5-(isocyanatomethyl)tricyclo[2.2.1.02,6]heptane
InChI:
InChI=1S/C10H10N2O2/c13-3-11-2-7-5-1-6-8(7)9(6)10(5)12-4-14/h5-10H,1-2H2
InChI Key:
XEDVXPPPAKXORP-UHFFFAOYSA-N
SMILES:
O=C=NCC1C2C3C2C(C1C3)N=C=O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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