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69365-86-2 | Bicyclo[2.2.1]hept-5-ene-2-carboxamide,2-propyl-, endo- (9CI)
CAS No: 69365-86-2 Catalog No: AG005N8X MDL No:
Product Description
Catalog Number:
AG005N8X
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2-carboxamide,2-propyl-, endo- (9CI)
CAS Number:
69365-86-2
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
2-propylbicyclo[2.2.1]hept-5-ene-2-carboxamide
InChI:
InChI=1S/C11H17NO/c1-2-5-11(10(12)13)7-8-3-4-9(11)6-8/h3-4,8-9H,2,5-7H2,1H3,(H2,12,13)
InChI Key:
MNKMXANEIVDRFR-UHFFFAOYSA-N
SMILES:
CCCC1(CC2CC1C=C2)C(=O)N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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