Home Carboxys 1-(tert-Butoxycarbonyl)indoline-3-carboxylic acid

1-(tert-Butoxycarbonyl)indoline-3-carboxylic acid

CAS No.:
177201-79-5
Catalog Number:
AG00256I
Molecular Formula:
C14H16NO4-
Molecular Weight:
262.2811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00256I
Chemical Name:
1-(tert-Butoxycarbonyl)indoline-3-carboxylic acid
CAS Number:
177201-79-5
Molecular Formula:
C14H16NO4-
Molecular Weight:
262.2811
MDL Number:
MFCD08059283
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,17)
InChI Key:
MVCIMEGPCAVHOK-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CN(c2c1cccc2)C(=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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties