Home Carbonyls 4-(tert-Butoxycarbonylamino)but-2-ynoic acid

4-(tert-Butoxycarbonylamino)but-2-ynoic acid

CAS No.:
168762-94-5
Catalog Number:
AG001Y9C
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$735
- +
1g
95%
1 week
United States
$1782
- +
Product Description
Catalog Number:
AG001Y9C
Chemical Name:
4-(tert-Butoxycarbonylamino)but-2-ynoic acid
CAS Number:
168762-94-5
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
MDL Number:
MFCD11847128
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-ynoic acid
InChI:
InChI=1S/C9H13NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h6H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
UEFFBQMMDMUCRR-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC#CC(=O)O
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties