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

3-(oxan-3-yl)benzoic acid

CAS No.:
1423884-91-6
Catalog Number:
AG01A30E
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG01A30E
Chemical Name:
3-(oxan-3-yl)benzoic acid
CAS Number:
1423884-91-6
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD23143998
IUPAC Name:
3-(oxan-3-yl)benzoic acid
InChI:
InChI=1S/C12H14O3/c13-12(14)10-4-1-3-9(7-10)11-5-2-6-15-8-11/h1,3-4,7,11H,2,5-6,8H2,(H,13,14)
InChI Key:
NJIAFDWKXOJCKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C1CCCOC1
Properties
Complexity:
227  
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