2-Phenylbutyraldehyde

CAT: 0024-sc-206482Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-206482Size:100 mg

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CAS Number

2439-43-2

Chemical Information

2-Phenylbutanal

CAS Number	2439-43-2
PubChem CID	235759
IUPAC Name	2-phenylbutanal
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	2.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	114

SMILES

CCC(C=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3

InChIKey

DIBSCKQIZZVKMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2439-43-2

CID: 235759

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	148.088815002
Monoisotopic Mass	148.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	114
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-226177	3-Phenylbutyraldehyde
sc-209283	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) benzoate
sc-209282	2,2,2-Trifluoroethyl 2-Hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
sc-343301A	2,2,2-trifluoroethyl 2-fluorophenylcarbamate
sc-320473	2- (2,2,2-trifluoroethoxy) benzaldehyde
sc-343303A	2,2,2-trifluoroethyl 2-methoxyphenylcarbamate
sc-356285	2- (2,2,2-Trifluoroethoxy) nitrobenzene
sc-475858	2- (2,2,2-Trifluoroethoxy) phenol
sc-506736	2'-Amino-2,2,2-trifluoroacetophenone

Catalog	Name
OR1026968-01	3-Phenylbutyraldehyde
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)