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87519-37-7 | 3-Undecynoic acid, 10-oxo-
CAS No: 87519-37-7 Catalog No: AG004F6Z MDL No:
Product Description
Catalog Number:
AG004F6Z
Chemical Name:
3-Undecynoic acid, 10-oxo-
CAS Number:
87519-37-7
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
10-oxoundec-3-ynoic acid
InChI:
InChI=1S/C11H16O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h2-4,6,8-9H2,1H3,(H,13,14)
InChI Key:
IIHXUFSWMWXBGH-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCC#CCC(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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