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139477-48-8 | 5-Dodecynoic acid, 4-hydroxy-, (R)- (9CI)
CAS No: 139477-48-8 Catalog No: AG001B39 MDL No:
Product Description
Catalog Number:
AG001B39
Chemical Name:
5-Dodecynoic acid, 4-hydroxy-, (R)- (9CI)
CAS Number:
139477-48-8
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
4-hydroxydodec-5-ynoic acid
InChI:
InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-6,9-10H2,1H3,(H,14,15)
InChI Key:
CPTRUPVWVUIJCB-UHFFFAOYSA-N
SMILES:
CCCCCCC#C[C@@H](CCC(=O)O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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