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Home > Other Heterocycles > 95673-81-7
95673-81-7 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxamide
CAS No: 95673-81-7 Catalog No: AG00H8LL MDL No:
Product Description
Catalog Number:
AG00H8LL
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxamide
CAS Number:
95673-81-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
IUPAC Name:
7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxamide
InChI:
InChI=1S/C7H7NO2/c8-6(9)7-4-2-1-3-5(7)10-7/h1-5H,(H2,8,9)
InChI Key:
GMUWEVOFFQWLJQ-UHFFFAOYSA-N
SMILES:
NC(=O)C12C=CC=CC2O1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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