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Benzaldehyde

CAT: 1596-AR-G01676-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G01676-03Size:250 Units
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CAS Number
100-52-7
Synonyms
Benzene carboxaldehyde; Almond artificial essential oil; benzanoaldehyde; Benzylaldehyde; Benzoyl hydride; Benzoic aldehyde; Phenylmethanal; Benzenecarbonal; Benzenecarboxaldehyde; Artificial almond oil; Fentanyl EP Impurity E
Molecular Formula
C7H6O
Molecular Weight
106.12
API Name
Glycopyrronium Bromide

Chemical Information

Benzaldehyde

Benzaldehyde is an arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. It has a role as a flavouring agent, a fragrance, an odorant receptor agonist, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, a plant metabolite and an EC 3.5.5.1 (nitrilase) inhibitor.

CAS Number100-52-7
PubChem CID240
IUPAC Namebenzaldehyde
Molecular FormulaC7H6O
Molecular Weight106.12
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C1=CC=C(C=C1)C=O
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde
CAS: 100-52-7
CID: 240
Formula: C7H6O
MW: 106.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.12
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass106.041864811
Monoisotopic Mass106.041864811
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
40000023-1Benzaldehyde
1031160 5002-Chloro Benzaldehyde (o-Chloro benzaldehyde)
047535-014-Chloro Benzaldehyde (p-Chloro Benzaldehyde)

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