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116310-04-4 | Butanoic acid, 3-hydroxy-, propyl ester
CAS No: 116310-04-4 Catalog No: AG000C6C MDL No:
Product Description
Catalog Number:
AG000C6C
Chemical Name:
Butanoic acid, 3-hydroxy-, propyl ester
CAS Number:
116310-04-4
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
propyl 3-hydroxybutanoate
InChI:
InChI=1S/C7H14O3/c1-3-4-10-7(9)5-6(2)8/h6,8H,3-5H2,1-2H3
InChI Key:
DYIMQAHDHMHISM-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC(O)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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