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1824073-96-2 | 2H-Isoindole-2-carboxylic acid, 1,3-dihydro-5-methoxy-, 1,1-dimethylethyl ester
CAS No: 1824073-96-2 Catalog No: AG0023UV MDL No:
Product Description
Catalog Number:
AG0023UV
Chemical Name:
2H-Isoindole-2-carboxylic acid, 1,3-dihydro-5-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1824073-96-2
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
tert-butyl 5-methoxy-1,3-dihydroisoindole-2-carboxylate
InChI:
InChI=1S/C14H19NO3/c1-14(2,3)18-13(16)15-8-10-5-6-12(17-4)7-11(10)9-15/h5-7H,8-9H2,1-4H3
InChI Key:
RLPRJHLDNXWKQA-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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