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138320-27-1 | Hexanoic acid, 2-(2-formylphenoxy)-
CAS No: 138320-27-1 Catalog No: AG0018IZ MDL No:
Product Description
Catalog Number:
AG0018IZ
Chemical Name:
Hexanoic acid, 2-(2-formylphenoxy)-
CAS Number:
138320-27-1
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
2-(2-formylphenoxy)hexanoic acid
InChI:
InChI=1S/C13H16O4/c1-2-3-7-12(13(15)16)17-11-8-5-4-6-10(11)9-14/h4-6,8-9,12H,2-3,7H2,1H3,(H,15,16)
InChI Key:
BNHZJSWSEINXDJ-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)Oc1ccccc1C=O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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