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666256-78-6 | 2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(4-pentynyl)-, (1S,4R)-
CAS No: 666256-78-6 Catalog No: AG00H7WP MDL No:
Product Description
Catalog Number:
AG00H7WP
Chemical Name:
2-Azabicyclo[2.2.1]hept-5-en-3-one, 2-(4-pentynyl)-, (1S,4R)-
CAS Number:
666256-78-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
(1S,4R)-2-pent-4-ynyl-2-azabicyclo[2.2.1]hept-5-en-3-one
InChI:
InChI=1S/C11H13NO/c1-2-3-4-7-12-10-6-5-9(8-10)11(12)13/h1,5-6,9-10H,3-4,7-8H2/t9-,10+/m0/s1
InChI Key:
YCCITLJVCOVSJO-VHSXEESVSA-N
SMILES:
C(N1[C@H]2C[C@@H](C1=O)C=C2)CCC#C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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