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19790-86-4 | Undecanoic acid, 2-hydroxy-
CAS No: 19790-86-4 Catalog No: AG002B5E MDL No:MFCD00210307
Product Description
Catalog Number:
AG002B5E
Chemical Name:
Undecanoic acid, 2-hydroxy-
CAS Number:
19790-86-4
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
MDL Number:
MFCD00210307
IUPAC Name:
2-hydroxyundecanoic acid
InChI:
InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-9-10(12)11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChI Key:
MNRBGFKCVTVNBA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(C(=O)O)O
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Gas chromatographic-mass spectrometric newborn screening for propionic acidaemia by targeting methylcitrate in dried filter-paper urine samples. | Journal of inherited metabolic disease 20020501 |
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