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14502-46-6 | 12-Tridecynoic acid
CAS No: 14502-46-6 Catalog No: AG001KHS MDL No:
Product Description
Catalog Number:
AG001KHS
Chemical Name:
12-Tridecynoic acid
CAS Number:
14502-46-6
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
tridec-12-ynoic acid
InChI:
InChI=1S/C13H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h1H,3-12H2,(H,14,15)
InChI Key:
HWIFJCZFXIICIS-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCCCC(=O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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