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3-methoxypentanoic acid

CAS No.:
100862-27-9
Catalog Number:
AG01DUWO
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG01DUWO
Chemical Name:
3-methoxypentanoic acid
CAS Number:
100862-27-9
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD17287383
IUPAC Name:
3-methoxypentanoic acid
InChI:
InChI=1S/C6H12O3/c1-3-5(9-2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key:
ZRWJEWKABOKXBQ-UHFFFAOYSA-N
SMILES:
CCC(CC(=O)O)OC
Properties
Complexity:
90.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties