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100315-55-7 | 9-Undecynoic acid, 11-hydroxy-, methyl ester
CAS No: 100315-55-7 Catalog No: AG0001LL MDL No:
Product Description
Catalog Number:
AG0001LL
Chemical Name:
9-Undecynoic acid, 11-hydroxy-, methyl ester
CAS Number:
100315-55-7
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
methyl 11-hydroxyundec-9-ynoate
InChI:
InChI=1S/C12H20O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-6,8,10-11H2,1H3
InChI Key:
AZYYJXBQFDTXMT-UHFFFAOYSA-N
SMILES:
OCC#CCCCCCCCC(=O)OC
Properties
Complexity:
222
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:
1
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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