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30952-42-2 | Hexanoic acid, 2-oxo-6-phenoxy-
CAS No: 30952-42-2 Catalog No: AG0031QH MDL No:
Product Description
Catalog Number:
AG0031QH
Chemical Name:
Hexanoic acid, 2-oxo-6-phenoxy-
CAS Number:
30952-42-2
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
IUPAC Name:
2-oxo-6-phenoxyhexanoic acid
InChI:
InChI=1S/C12H14O4/c13-11(12(14)15)8-4-5-9-16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,14,15)
InChI Key:
WWYFLSVHTNUXHE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)CCCCOc1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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