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Home Carbonyls tert-Butoxycarbonylamino-phenyl-acetic acid

tert-Butoxycarbonylamino-phenyl-acetic acid

CAS No.:
3601-66-9
Catalog Number:
AG00I756
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$82
- +
500g
98%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG00I756
Chemical Name:
tert-Butoxycarbonylamino-phenyl-acetic acid
CAS Number:
3601-66-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00971063
IUPAC Name:
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid
InChI:
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
HOBFSNNENNQQIU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(c1ccccc1)C(=O)O
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties