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162679-91-6

162679-91-6 | Cyclopropanecarboxylic acid, 1-amino-2-(1-methylethyl)-, (1S,2R)-

CAS No: 162679-91-6 Catalog No: AG001TBB MDL No:

Product Description

Catalog Number:
AG001TBB
Chemical Name:
Cyclopropanecarboxylic acid, 1-amino-2-(1-methylethyl)-, (1S,2R)-
CAS Number:
162679-91-6
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
(1S,2R)-1-amino-2-propan-2-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H13NO2/c1-4(2)5-3-7(5,8)6(9)10/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-,7+/m1/s1
InChI Key:
GFIRYOYQBKQVOL-VDTYLAMSSA-N
SMILES:
CC([C@H]1C[C@@]1(N)C(=O)O)C

Properties

Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  

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