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100960-88-1

100960-88-1 | Bicyclo[4.1.0]hepta-2,4-diene-2-carboxamide

CAS No: 100960-88-1 Catalog No: AG0003BE MDL No:

Product Description

Catalog Number:
AG0003BE
Chemical Name:
Bicyclo[4.1.0]hepta-2,4-diene-2-carboxamide
CAS Number:
100960-88-1
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
IUPAC Name:
bicyclo[4.1.0]hepta-2,4-diene-2-carboxamide
InChI:
InChI=1S/C8H9NO/c9-8(10)6-3-1-2-5-4-7(5)6/h1-3,5,7H,4H2,(H2,9,10)
InChI Key:
UGHOZUKXASKFSX-UHFFFAOYSA-N
SMILES:
NC(=O)C1=CC=CC2C1C2

Properties

Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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