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130892-97-6 | Hexanoic acid, 6-(phenylmethoxy)-
CAS No: 130892-97-6 Catalog No: AG000V2W MDL No:
Product Description
Catalog Number:
AG000V2W
Chemical Name:
Hexanoic acid, 6-(phenylmethoxy)-
CAS Number:
130892-97-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
6-phenylmethoxyhexanoic acid
InChI:
InChI=1S/C13H18O3/c14-13(15)9-5-2-6-10-16-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,15)
InChI Key:
IILIIPOEUNIPFG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCOCc1ccccc1
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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