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114192-10-8 | 4-Nonynoic acid, 3-oxo-2-(1-oxopropyl)-
CAS No: 114192-10-8 Catalog No: AG000AR4 MDL No:
Product Description
Catalog Number:
AG000AR4
Chemical Name:
4-Nonynoic acid, 3-oxo-2-(1-oxopropyl)-
CAS Number:
114192-10-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3-oxo-2-propanoylnon-4-ynoic acid
InChI:
InChI=1S/C12H16O4/c1-3-5-6-7-8-10(14)11(12(15)16)9(13)4-2/h11H,3-6H2,1-2H3,(H,15,16)
InChI Key:
SYSSEVYNJZFAIL-UHFFFAOYSA-N
SMILES:
CCCCC#CC(=O)C(C(=O)CC)C(=O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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