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Home > Amines > 177317-28-1

177317-28-1

177317-28-1 | Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-amino-

CAS No: 177317-28-1 Catalog No: AG00258N MDL No:MFCD28160636

Product Description

Catalog Number:
AG00258N
Chemical Name:
Bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-amino-
CAS Number:
177317-28-1
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD28160636
IUPAC Name:
2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
InChI:
InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)
InChI Key:
VTAARTQTOOYTES-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1C(CC2)(N)C(=O)O

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

Literature

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