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Home > Indoles and Oxindole > 140431-31-8
140431-31-8 | 2H-Isoindole-2-undecanoic acid, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-
CAS No: 140431-31-8 Catalog No: AG001CFO MDL No:
Product Description
Catalog Number:
AG001CFO
Chemical Name:
2H-Isoindole-2-undecanoic acid, 1,3,3a,4,7,7a-hexahydro-1,3-dioxo-
CAS Number:
140431-31-8
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
11-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)undecanoic acid
InChI:
InChI=1S/C19H29NO4/c21-17(22)13-7-5-3-1-2-4-6-10-14-20-18(23)15-11-8-9-12-16(15)19(20)24/h8-9,15-16H,1-7,10-14H2,(H,21,22)
InChI Key:
XDHXPRIYOZUPLD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCN1C(=O)C2C(C1=O)CC=CC2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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