3- (Hydroxymethyl) -4-propoxybenzaldehyde

CAT: 0024-sc-472155Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-472155Size:100 mg

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CAS Number

915921-81-2

Chemical Information

3-(Hydroxymethyl)-4-propoxybenzaldehyde

CAS Number	915921-81-2
PubChem CID	28065651
IUPAC Name	3-(hydroxymethyl)-4-propoxybenzaldehyde
Molecular Formula	C11H14O3
Molecular Weight	194.23
XLogP	1.4
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	170

SMILES

CCCOC1=C(C=C(C=C1)C=O)CO

InChI

InChI=1S/C11H14O3/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h3-4,6-7,13H,2,5,8H2,1H3

InChIKey

HLQBRHXEHNHRJT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 915921-81-2

CID: 28065651

Formula: C11H14O3

MW: 194.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.23
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	194.094294304
Monoisotopic Mass	194.094294304
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	170
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
sc-283751	3-ethoxy-4-propoxybenzaldehyde
sc-479215A	3-Chloro-4-propoxybenzaldehyde
sc-479215	3-Chloro-4-propoxybenzaldehyde
sc-232973	4-Propoxybenzaldehyde
sc-277466	4-methoxy-3-propoxybenzaldehyde
sc-283844	3-propoxybenzaldehyde
sc-276290	3-Methoxy-4-n-propoxybenzaldehyde
sc-346687A	3-chloro-5-methoxy-4-propoxybenzaldehyde
sc-346574	3-bromo-5-ethoxy-4-propoxybenzaldehyde
sc-346687	3-chloro-5-methoxy-4-propoxybenzaldehyde

Catalog	Name
280082-01	3- (Hydroxymethyl) -4-propoxybenzaldehyde
231444-01	3- (Hydroxymethyl) -4-propoxybenzaldehyde ≥95% (NMR)
CS-O-06123	4-Hydroxymethyl Loratadine
FH168405-01	4- (Hydroxymethyl) cyclohexanol
429567-01	4- (Hydroxymethyl) cyclohexanone
OR1172-01	4- (Hydroxymethyl) phenol
OR302612	4- (Hydroxymethyl) picolinaldehyde
OR83461	4- (Hydroxymethyl) benzamide
H2150-01	4- (Hydroxymethyl) Phenylboronicacidpinacolester
TRC-H594060-250MG	4-Hydroxymethyl Pendimethalin