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82950-75-2 | 1-(4-carboxy-2-methyl-pentanoyl)-2,3-dihydroindole-2-carboxylic acid
CAS No: 82950-75-2 Catalog No: AG004YJ4 MDL No:
Product Description
Catalog Number:
AG004YJ4
Chemical Name:
1-(4-carboxy-2-methyl-pentanoyl)-2,3-dihydroindole-2-carboxylic acid
CAS Number:
82950-75-2
Molecular Formula:
C16H19NO5
Molecular Weight:
305.3258
IUPAC Name:
1-(4-carboxy-2-methylpentanoyl)-2,3-dihydroindole-2-carboxylic acid
InChI:
InChI=1S/C16H19NO5/c1-9(7-10(2)15(19)20)14(18)17-12-6-4-3-5-11(12)8-13(17)16(21)22/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,20)(H,21,22)
InChI Key:
QYGJWRUSSRDNLQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(C(=O)N1C(Cc2c1cccc2)C(=O)O)C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.33g/mol
Monoisotopic Mass:
305.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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