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Home > Indoles and Oxindole > 70494-26-7
70494-26-7 | (S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-propionic acid methyl ester
CAS No: 70494-26-7 Catalog No: AG01EX1G MDL No:
Product Description
Catalog Number:
AG01EX1G
Chemical Name:
(S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-hydroxy-propionic acid methyl ester
CAS Number:
70494-26-7
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
IUPAC Name:
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
InChI:
InChI=1S/C12H11NO5/c1-18-12(17)9(6-14)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-5,9,14H,6H2,1H3/t9-/m0/s1
InChI Key:
VLMFMOJAUYRNBB-VIFPVBQESA-N
SMILES:
OC[C@H](N1C(=O)c2c(C1=O)cccc2)C(=O)OC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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