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834869-39-5 | Benzoic acid, 2-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethoxy]-
CAS No: 834869-39-5 Catalog No: AG004RCS MDL No:
Product Description
Catalog Number:
AG004RCS
Chemical Name:
Benzoic acid, 2-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethoxy]-
CAS Number:
834869-39-5
Molecular Formula:
C14H18O5
Molecular Weight:
266.2897
IUPAC Name:
2-[2-(oxan-2-yloxy)ethoxy]benzoic acid
InChI:
InChI=1S/C14H18O5/c15-14(16)11-5-1-2-6-12(11)17-9-10-19-13-7-3-4-8-18-13/h1-2,5-6,13H,3-4,7-10H2,(H,15,16)
InChI Key:
MLXFTSJJXMUPAP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCCOC1CCCCO1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.293g/mol
Monoisotopic Mass:
266.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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