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111266-16-1

111266-16-1 | (S)-2-methylsuccinic Acid 1-methyl Ester

CAS No: 111266-16-1 Catalog No: AG003884 MDL No:MFCD00134574

Product Description

Catalog Number:
AG003884
Chemical Name:
(S)-2-methylsuccinic Acid 1-methyl Ester
CAS Number:
111266-16-1
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
MDL Number:
MFCD00134574
IUPAC Name:
(3S)-4-methoxy-3-methyl-4-oxobutanoic acid
InChI:
InChI=1S/C6H10O4/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChI Key:
QEZMQNIFDRNSJZ-BYPYZUCNSA-N
SMILES:
C[C@H](C(=O)OC)CC(=O)O

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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