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1817-61-4 | 4-Nonyn-3-one
CAS No: 1817-61-4 Catalog No: AG00232D MDL No:
Product Description
Catalog Number:
AG00232D
Chemical Name:
4-Nonyn-3-one
CAS Number:
1817-61-4
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
non-4-yn-3-one
InChI:
InChI=1S/C9H14O/c1-3-5-6-7-8-9(10)4-2/h3-6H2,1-2H3
InChI Key:
IAWOZINVZPDCNP-UHFFFAOYSA-N
SMILES:
CCCCC#CC(=O)CC
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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