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100406-67-5 | 1H-Isoindole-5-carboxylic acid, 2-dodecyl-2,3-dihydro-1,3-dioxo-
CAS No: 100406-67-5 Catalog No: AG0001X9 MDL No:
Product Description
Catalog Number:
AG0001X9
Chemical Name:
1H-Isoindole-5-carboxylic acid, 2-dodecyl-2,3-dihydro-1,3-dioxo-
CAS Number:
100406-67-5
Molecular Formula:
C21H29NO4
Molecular Weight:
359.4593
IUPAC Name:
2-dodecyl-1,3-dioxoisoindole-5-carboxylic acid
InChI:
InChI=1S/C21H29NO4/c1-2-3-4-5-6-7-8-9-10-11-14-22-19(23)17-13-12-16(21(25)26)15-18(17)20(22)24/h12-13,15H,2-11,14H2,1H3,(H,25,26)
InChI Key:
HMQAVTXUIBLIEU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1C(=O)c2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.21g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.466g/mol
Monoisotopic Mass:
359.21g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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