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90013-14-2 | (1R,6S)-7-isocyanatobicyclo[4.1.0]hept-3-ene
CAS No: 90013-14-2 Catalog No: AG006M5H MDL No:
Product Description
Catalog Number:
AG006M5H
Chemical Name:
(1R,6S)-7-isocyanatobicyclo[4.1.0]hept-3-ene
CAS Number:
90013-14-2
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
(1S,6R)-7-isocyanatobicyclo[4.1.0]hept-3-ene
InChI:
InChI=1S/C8H9NO/c10-5-9-8-6-3-1-2-4-7(6)8/h1-2,6-8H,3-4H2/t6-,7+,8?
InChI Key:
FNECPXAYDQFZDE-DHBOJHSNSA-N
SMILES:
O=C=NC1[C@@H]2[C@H]1CC=CC2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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