4-Isobutoxy-1-naphthaldehyde

CAT: 0127-OR1093547-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1093547-01Size:250 mg

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CAS Number

700858-96-4

MDL Number

MFCD03928893

Purity

97%

Smiles

C1ccc2c (c1) c (ccc2OCC (C) C) C=O

Chemical Information

4-(2-Methylpropoxy)naphthalene-1-carbaldehyde

CAS Number	700858-96-4
PubChem CID	951926
IUPAC Name	4-(2-methylpropoxy)naphthalene-1-carbaldehyde
Molecular Formula	C15H16O2
Molecular Weight	228.29
XLogP	3.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	249

SMILES

CC(C)COC1=CC=C(C2=CC=CC=C21)C=O

InChI

InChI=1S/C15H16O2/c1-11(2)10-17-15-8-7-12(9-16)13-5-3-4-6-14(13)15/h3-9,11H,10H2,1-2H3

InChIKey

LDQIRBGOFTWYFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 700858-96-4

CID: 951926

Formula: C15H16O2

MW: 228.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.29
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	228.115029749
Monoisotopic Mass	228.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	249
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
OR1089328-01	6-Isobutoxy-2-naphthaldehyde
PC1022005	4- (Difluoromethoxy) -1-naphthaldehyde
OR89995-01	4-Hydroxy-1-naphthaldehyde
OR1082425-01	4-Phenyl-1-naphthaldehyde
OR1092177-01	4- (Methylthio) -1-naphthaldehyde
OR1076828-01	4-Chloro-1-Naphthaldehyde
PC1010006	4- (difluoromethyl) -1-naphthaldehyde
OR1093373-01	4-isopropoxy-1-naphthaldehyde
OR1092788-01	4-Ethoxy-1-naphthaldehyde
OR91073-01	4- (Dimethylamino) -1-naphthaldehyde

Catalog	Name
114250 500	1-Naphthaldehyde for Synthesis (α-Naphthaldehyde)
432595-01	4-Hydroxy-1-naphthaldehyde
283009-01	4-Methoxy-1-naphthaldehyde
MBS6056986-01	4-Fluoro-1-naphthaldehyde
IBA73848-01	4-Methyl-1-naphthaldehyde
sc-314915	4- (Cyclopropylmethoxy) -1-naphthaldehyde
sc-226617	4-Dimethylamino-1-naphthaldehyde
abx182902-01	1-Naphthaldehyde