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87583-42-4 | 3-Dodecynoic acid, 11-hydroxy-, (R)-
CAS No: 87583-42-4 Catalog No: AG004M4W MDL No:
Product Description
Catalog Number:
AG004M4W
Chemical Name:
3-Dodecynoic acid, 11-hydroxy-, (R)-
CAS Number:
87583-42-4
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
(11R)-11-hydroxydodec-3-ynoic acid
InChI:
InChI=1S/C12H20O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-5,7,9-10H2,1H3,(H,14,15)/t11-/m1/s1
InChI Key:
AUEMENJQQZVRNP-LLVKDONJSA-N
SMILES:
C[C@H](CCCCCCC#CCC(=O)O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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