3-Phenylbutyraldehyde

CAT: 0024-sc-226177Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-226177Size:5 mL

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CAS Number

16251-77-7

Chemical Information

3-Phenylbutanal

structure in first source

CAS Number	16251-77-7
PubChem CID	85979
IUPAC Name	3-phenylbutanal
Molecular Formula	C10H12O
Molecular Weight	148.20
XLogP	1.9
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

CC(CC=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

InChIKey

MYHGOWDLVRDUFA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16251-77-7

CID: 85979

Formula: C10H12O

MW: 148.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.20
XLogP3	1.9
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-206482	2-Phenylbutyraldehyde
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261128A	3,3,3-Trifluoropropionaldehyde
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-261132	3,3,3-Trifluoropropylamine
sc-261128	3,3,3-Trifluoropropionaldehyde
sc-347308A	3,3,3-trifluoropropanehydrazide
sc-347308	3,3,3-trifluoropropanehydrazide
sc-347307	3,3,3-trifluoropropanamide

Catalog	Name
OR1026968-01	3-Phenylbutyraldehyde
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile