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Home > Indoles and Oxindole > 944718-09-6
944718-09-6 | (6-Methoxy-1-oxoisoindolin-2-yl)methyl pivalate
CAS No: 944718-09-6 Catalog No: AG005WXB MDL No:
Product Description
Catalog Number:
AG005WXB
Chemical Name:
(6-Methoxy-1-oxoisoindolin-2-yl)methyl pivalate
CAS Number:
944718-09-6
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C15H19NO4/c1-15(2,3)14(18)20-9-16-8-10-5-6-11(19-4)7-12(10)13(16)17/h5-7H,8-9H2,1-4H3
InChI Key:
PJCIJXQJKZUYMO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)N(C2)COC(=O)C(C)(C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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