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Home > Other Heterocycles > 126332-31-8
126332-31-8 | BICYCLO[3.1.1]HEPTANE-1-CARBOXAMIDE
CAS No: 126332-31-8 Catalog No: AG000SND MDL No:
Product Description
Catalog Number:
AG000SND
Chemical Name:
BICYCLO[3.1.1]HEPTANE-1-CARBOXAMIDE
CAS Number:
126332-31-8
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
bicyclo[3.1.1]heptane-1-carboxamide
InChI:
InChI=1S/C8H13NO/c9-7(10)8-3-1-2-6(4-8)5-8/h6H,1-5H2,(H2,9,10)
InChI Key:
JKUYZNMPMJOCTE-UHFFFAOYSA-N
SMILES:
NC(=O)C12CCCC(C1)C2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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