Home Carboxys 2-(1-carboxypropoxy)butanoic acid

2-(1-carboxypropoxy)butanoic acid

CAS No.:
19201-33-3
Catalog Number:
AG01C1RS
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
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Product Description
Catalog Number:
AG01C1RS
Chemical Name:
2-(1-carboxypropoxy)butanoic acid
CAS Number:
19201-33-3
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
MDL Number:
MFCD20640820
IUPAC Name:
2-(1-carboxypropoxy)butanoic acid
InChI:
InChI=1S/C8H14O5/c1-3-5(7(9)10)13-6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
RUARALYJHUDLAX-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)OC(C(=O)O)CC
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties