Home Carboxys 1-Boc-azepane-2-carboxylic acid

1-Boc-azepane-2-carboxylic acid

CAS No.:
1034708-26-3
Catalog Number:
AG008S3P
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$259
- +
1g
97%
1 week
United States
$591
- +
Product Description
Catalog Number:
AG008S3P
Chemical Name:
1-Boc-azepane-2-carboxylic acid
CAS Number:
1034708-26-3
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD03790979
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
InChI:
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-6-4-5-7-9(13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChI Key:
BKMVFOKQLCHCPK-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1C(=O)O)OC(C)(C)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties