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4-Hydroxybenzaldehyde-1-13C

CAT: 0024-sc-226684Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-226684Size:100 mg
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CAS Number
152404-52-9

Chemical Information

4-Hydroxy(formyl-~13~C)benzaldehyde
CAS Number152404-52-9
PubChem CID16213280
IUPAC Name4-hydroxy(13C)benzaldehyde
Molecular FormulaC7H6O2
Molecular Weight123.11
XLogP1.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity93
SMILES
C1=CC(=CC=C1[13CH]=O)O
InChI
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i5+1
InChIKey
RGHHSNMVTDWUBI-HOSYLAQJSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy(formyl-~13~C)benzaldehyde
CAS: 152404-52-9
CID: 16213280
Formula: C7H6O2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass123.040134265
Monoisotopic Mass123.040134265
Topological Polar Surface Area37.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.1
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H828972-100MG4-Hydroxybenzaldehyde-13C
CGA404524-Hydroxybenzaldehyde-±-13C
HY-Y0313S1-01P-Hydroxybenzaldehyde-13C
278658-014-Hydroxybenzaldehyde
5080084‐HYDROXYBENZALDEHYDE
HY-N91084-Hydroxybenzaldehyde rhamnoside
TRC-H828973-25MG4-Hydroxybenzaldehyde-d4
108410 1004-Hydroxybenzaldehyde For Synthesis
TRC-H828971-5MG4-Hydroxybenzaldehyde-d5
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