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19763-41-8 | 1,2,3-Tridecanetricarboxylic acid, 2-hydroxy- (8CI,9CI)
CAS No: 19763-41-8 Catalog No: AG002AX6 MDL No:
Product Description
Catalog Number:
AG002AX6
Chemical Name:
1,2,3-Tridecanetricarboxylic acid, 2-hydroxy- (8CI,9CI)
CAS Number:
19763-41-8
Molecular Formula:
C16H28O7
Molecular Weight:
332.3893
IUPAC Name:
2-hydroxytridecane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChI Key:
DQIHPEKINXOMBM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCC(C(C(=O)O)(CC(=O)O)O)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.184g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
332.393g/mol
Monoisotopic Mass:
332.184g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Phylogeny and nomenclature of the genus Talaromyces and taxa accommodated in Penicillium subgenus Biverticillium. | Studies in mycology 20111115 |
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