Home Other Building Blocks 4-(oxan-3-yl)benzoic acid

4-(oxan-3-yl)benzoic acid

CAS No.:
1443981-93-8
Catalog Number:
AG01A3F8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01A3F8
Chemical Name:
4-(oxan-3-yl)benzoic acid
CAS Number:
1443981-93-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD24842741
IUPAC Name:
4-(oxan-3-yl)benzoic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)10-5-3-9(4-6-10)11-2-1-7-15-8-11/h3-6,11H,1-2,7-8H2,(H,13,14)
InChI Key:
JYPYCJJRDTYMQO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCCOC1
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties