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1008773-89-4 | Benzoic acid, 4-[(tetrahydro-2H-pyran-4-yl)methoxy]-
CAS No: 1008773-89-4 Catalog No: AG000334 MDL No:
Product Description
Catalog Number:
AG000334
Chemical Name:
Benzoic acid, 4-[(tetrahydro-2H-pyran-4-yl)methoxy]-
CAS Number:
1008773-89-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
4-(oxan-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H16O4/c14-13(15)11-1-3-12(4-2-11)17-9-10-5-7-16-8-6-10/h1-4,10H,5-9H2,(H,14,15)
InChI Key:
BWOSOGFEOBIKIY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCC1CCOCC1
Properties
Complexity:
240
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:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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