200,000+ products from a single source!
sales@angenechem.com
88513-60-4 | 1H-Cyclopenta[c]pyridin-1-one, 3-(5-hexynyl)-2,4a,5,6,7,7a-hexahydro-
CAS No: 88513-60-4 Catalog No: AG00489E MDL No:
Product Description
Catalog Number:
AG00489E
Chemical Name:
1H-Cyclopenta[c]pyridin-1-one, 3-(5-hexynyl)-2,4a,5,6,7,7a-hexahydro-
CAS Number:
88513-60-4
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
3-hex-5-ynyl-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one
InChI:
InChI=1S/C14H19NO/c1-2-3-4-5-8-12-10-11-7-6-9-13(11)14(16)15-12/h1,10-11,13H,3-9H2,(H,15,16)
InChI Key:
HMHGNLPWUGAZFK-UHFFFAOYSA-N
SMILES:
C#CCCCCC1=CC2C(C(=O)N1)CCC2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
© 2019 Angene International Limited. All rights Reserved.