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Home > Other Heterocycles > 83016-51-7
83016-51-7 | 2-Propenoic acid,3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)-, (+)-
CAS No: 83016-51-7 Catalog No: AG004YGG MDL No:
Product Description
Catalog Number:
AG004YGG
Chemical Name:
2-Propenoic acid,3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)-, (+)-
CAS Number:
83016-51-7
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
(E)-3-(4-isocyano-6-oxabicyclo[3.1.0]hex-3-en-1-yl)prop-2-enoic acid
InChI:
InChI=1S/C9H7NO3/c1-10-6-2-4-9(8(6)13-9)5-3-7(11)12/h2-3,5,8H,4H2,(H,11,12)/b5-3+
InChI Key:
NWXXRSALAADDFI-HWKANZROSA-N
SMILES:
[C-]#[N+]C1=CCC2(C1O2)C=CC(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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