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2885-02-1

2885-02-1 | L-Alanine, butyl ester

CAS No: 2885-02-1 Catalog No: AG002WTT MDL No:MFCD12796122

Product Description

Catalog Number:
AG002WTT
Chemical Name:
L-Alanine, butyl ester
CAS Number:
2885-02-1
Molecular Formula:
C7H15NO2
Molecular Weight:
145.1995
MDL Number:
MFCD12796122
IUPAC Name:
butyl (2S)-2-aminopropanoate
InChI:
InChI=1S/C7H15NO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChI Key:
RJJXSCQQRYCPLW-LURJTMIESA-N
SMILES:
CCCCOC(=O)[C@@H](N)C

Properties

Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
145.11g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
145.202g/mol
Monoisotopic Mass:
145.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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