200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1250997-29-5
1250997-29-5 | 3-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 3-(1,1-dimethylethyl) ester
CAS No: 1250997-29-5 Catalog No: AG000N4V MDL No:MFCD17016674
Product Description
Catalog Number:
AG000N4V
Chemical Name:
3-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 3-(1,1-dimethylethyl) ester
CAS Number:
1250997-29-5
Molecular Formula:
C13H20NO4-
Molecular Weight:
254.3022
MDL Number:
MFCD17016674
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.1]octane-8-carboxylic acid
InChI:
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-8-4-5-9(7-14)10(8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChI Key:
YKUHLURNVRVYFU-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CCC(C1)C2C(=O)[O-])OC(C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.314g/mol
Monoisotopic Mass:
255.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.