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20279-51-0 | Propanoic acid, 2-hydroxy-, hexyl ester
CAS No: 20279-51-0 Catalog No: AG0028EP MDL No:
Product Description
Catalog Number:
AG0028EP
Chemical Name:
Propanoic acid, 2-hydroxy-, hexyl ester
CAS Number:
20279-51-0
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
hexyl 2-hydroxypropanoate
InChI:
InChI=1S/C9H18O3/c1-3-4-5-6-7-12-9(11)8(2)10/h8,10H,3-7H2,1-2H3
InChI Key:
KDPXOGYCOOUWOS-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)C(O)C
EC Number:
243-676-4
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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