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192582-86-8 | Butanoic acid, 3-(2,3-dihydroxypropoxy)-
CAS No: 192582-86-8 Catalog No: AG002G43 MDL No:
Product Description
Catalog Number:
AG002G43
Chemical Name:
Butanoic acid, 3-(2,3-dihydroxypropoxy)-
CAS Number:
192582-86-8
Molecular Formula:
C7H14O5
Molecular Weight:
178.1831
IUPAC Name:
3-(2,3-dihydroxypropoxy)butanoic acid
InChI:
InChI=1S/C7H14O5/c1-5(2-7(10)11)12-4-6(9)3-8/h5-6,8-9H,2-4H2,1H3,(H,10,11)
InChI Key:
FVQVYPQNOPIJFI-UHFFFAOYSA-N
SMILES:
OCC(COC(CC(=O)O)C)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.184g/mol
Monoisotopic Mass:
178.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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