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136703-73-6

136703-73-6 | Hexanoic acid, 3-amino-5-methyl-, methyl ester, (3R)-

CAS No: 136703-73-6 Catalog No: AG00128G MDL No:

Product Description

Catalog Number:
AG00128G
Chemical Name:
Hexanoic acid, 3-amino-5-methyl-, methyl ester, (3R)-
CAS Number:
136703-73-6
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
methyl 3-amino-5-methylhexanoate
InChI:
InChI=1S/C8H17NO2/c1-6(2)4-7(9)5-8(10)11-3/h6-7H,4-5,9H2,1-3H3
InChI Key:
LLLSCIXQSDYKEB-UHFFFAOYSA-N
SMILES:
COC(=O)C[C@@H](CC(C)C)N

Properties

Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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