3',4'- (Didecyloxy) benzaldehyde

CAT: 0127-OR10851Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR10851Size:1 Each

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CAS Number

118468-34-1

MDL Number

MFCD00143005

Smiles

CCCCCCCCCCOc1ccc (C=O) cc1OCCCCCCCCCC

Chemical Information

3,4-Didecoxybenzaldehyde

CAS Number	118468-34-1
PubChem CID	2724929
IUPAC Name	3,4-didecoxybenzaldehyde
Molecular Formula	C27H46O3
Molecular Weight	418.7
XLogP	10.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	21
Heavy Atom Count	30
Formal Charge	0
Complexity	371

SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C=O)OCCCCCCCCCC

InChI

InChI=1S/C27H46O3/c1-3-5-7-9-11-13-15-17-21-29-26-20-19-25(24-28)23-27(26)30-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22H2,1-2H3

InChIKey

MKLNWOUQGKEWBQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118468-34-1

CID: 2724929

Formula: C27H46O3

MW: 418.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	418.7
XLogP3	10.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	21
Exact Mass	418.34469533
Monoisotopic Mass	418.34469533
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1021890-01	3- (4-fluorobenzoyl) benzaldehyde
OR33435-01	4- (3-Chloropropoxy) benzaldehyde
PC300613-01	4- (3-Fluorophenoxy) benzaldehyde
PC10138-01	4- (3-Fluoropropoxy) benzaldehyde
OR1085594-01	3- (4,4-Dimethylcyclohexyl) benzaldehyde
PC1004333-01	4- (3,4-Difluorophenoxy) benzaldehyde
OR1093542	3- (4-chlorophenoxy) benzaldehyde
OR1003358	4- (3-Bromopropoxy) benzaldehyde
OR1023771-01	3- (4-Methoxyphenoxy) Benzaldehyde
OR200044-01	3- (4-Nitrophenoxy) benzaldehyde

Catalog	Name
422888-01	3- (4-Fluorophenyl) benzaldehyde
sc-231333	3- (4-Methoxyphenoxy) benzaldehyde
sc-231324	3-(4-Chlorophenoxy)benzaldehyde
TAA98609-01	4- (3-Methylbutoxy) benzaldehyde
HDA62525-01	4- (3-Chloropropoxy) benzaldehyde
PMB75829-01	4- (3-Fluorophenoxy) benzaldehyde
TYD-03036-01	4- (3-Fluorobenzyloxy) benzaldehyde
TRC-O846625-500MG	4-(3-Oxetanyl)benzaldehyde
sc-231337	3- (4-Methylphenoxy) benzaldehyde
sc-261311	4- (3-Methoxyphenyl) benzaldehyde