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19947-43-4 | Butanoic acid, 2-(acetyloxy)-
CAS No: 19947-43-4 Catalog No: AG002C51 MDL No:
Product Description
Catalog Number:
AG002C51
Chemical Name:
Butanoic acid, 2-(acetyloxy)-
CAS Number:
19947-43-4
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
2-acetyloxybutanoic acid
InChI:
InChI=1S/C6H10O4/c1-3-5(6(8)9)10-4(2)7/h5H,3H2,1-2H3,(H,8,9)
InChI Key:
GELZYBXBKFHYEN-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)OC(=O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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