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Home > Indoles and Oxindole > 69705-72-2
69705-72-2 | 2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-4-methyl-pentanoic acid
CAS No: 69705-72-2 Catalog No: AG0068RM MDL No:MFCD03653081
Product Description
Catalog Number:
AG0068RM
Chemical Name:
2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-4-methyl-pentanoic acid
CAS Number:
69705-72-2
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD03653081
IUPAC Name:
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoic acid
InChI:
InChI=1S/C14H19NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)
InChI Key:
WOYPYWBRVFMWEQ-UHFFFAOYSA-N
SMILES:
CC(CC(N1C(=O)C2C(C1=O)CC=CC2)C(=O)O)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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