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850877-60-0 | 2-Boc-5-acetyl-isoindoline
CAS No: 850877-60-0 Catalog No: AG004RNB MDL No:
Product Description
Catalog Number:
AG004RNB
Chemical Name:
2-Boc-5-acetyl-isoindoline
CAS Number:
850877-60-0
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
IUPAC Name:
tert-butyl 5-acetyl-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C15H19NO3/c1-10(17)11-5-6-12-8-16(9-13(12)7-11)14(18)19-15(2,3)4/h5-7H,8-9H2,1-4H3
InChI Key:
CUIPBGJZWSDLTK-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)ccc(c2)C(=O)C)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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