Home Aldehydes 2-(4-hydroxybutoxy)benzaldehyde

2-(4-hydroxybutoxy)benzaldehyde

CAS No.:
1392015-82-5
Catalog Number:
AG01C3YB
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
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Product Description
Catalog Number:
AG01C3YB
Chemical Name:
2-(4-hydroxybutoxy)benzaldehyde
CAS Number:
1392015-82-5
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD16042373
IUPAC Name:
2-(4-hydroxybutoxy)benzaldehyde
InChI:
InChI=1S/C11H14O3/c12-7-3-4-8-14-11-6-2-1-5-10(11)9-13/h1-2,5-6,9,12H,3-4,7-8H2
InChI Key:
BESAIRMUSWIMSK-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccccc1C=O
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties