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Methyl 1-BOC-indole-5-carboxylate

CAS No.:
272438-11-6
Catalog Number:
AG00BIF4
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$500
- +
10g
95%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00BIF4
Chemical Name:
Methyl 1-BOC-indole-5-carboxylate
CAS Number:
272438-11-6
Molecular Formula:
C15H17NO4
Molecular Weight:
275.2998
MDL Number:
MFCD13183437
IUPAC Name:
1-O-tert-butyl 5-O-methyl indole-1,5-dicarboxylate
InChI:
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-7-10-9-11(13(17)19-4)5-6-12(10)16/h5-9H,1-4H3
InChI Key:
AYLPJERLLUZRGD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)ccn2C(=O)OC(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:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties