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Home Aldehydes 4-Butoxybenzaldehyde

4-Butoxybenzaldehyde

CAS No.:
5736-88-9
Catalog Number:
AG003LTA
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
1 week
United States
$25
- +
25g
99%
1 week
United States
$80
- +
100g
99%
1 week
United States
$170
- +
Product Description
Catalog Number:
AG003LTA
Chemical Name:
4-Butoxybenzaldehyde
CAS Number:
5736-88-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00003389
IUPAC Name:
4-butoxybenzaldehyde
InChI:
InChI=1S/C11H14O2/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChI Key:
XHWMNHADTZZHGI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C=O
EC Number:
227-247-9
UNII:
8OP1TZF294
NSC Number:
508762
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
[8-(4-But-oxy-benzo-yl)-2,7-dimeth-oxy-naphthalen-1-yl](4-but-oxy-phen-yl)methanone. Acta crystallographica. Section E, Structure reports online 20111201
2,4-Bis(4-but-oxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one. Acta crystallographica. Section E, Structure reports online 20110301
Properties