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2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid

CAS No.:
1044764-69-3
Catalog Number:
AG0091JE
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$413
- +
1g
97%
1 week
United States
$1092
- +
Product Description
Catalog Number:
AG0091JE
Chemical Name:
2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid
CAS Number:
1044764-69-3
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
MDL Number:
MFCD10700129
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChI Key:
TWSXZRDGGYYYOB-UHFFFAOYSA-N
SMILES:
O=C(N1Cc2c(C1)cccc2C(=O)O)OC(C)(C)C
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties