CAS 5736-88-9 | 4-Butoxybenzaldehyde | CAS Number 5736-88-9

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5736-88-9 | 4-Butoxybenzaldehyde

CAS No: 5736-88-9 Catalog No: AG003LTA MDL No:MFCD00003389

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.231g/mol

Monoisotopic Mass:

178.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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