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4- (Hydroxymethyl) benzaldehyde

CAT: 0127-OR18563-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR18563-01Size:1 g
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CAS Number
52010-97-6
Synonyms
4-Formylbenzyl alcohol, (4-Formylphenyl) methanol
MDL Number
MFCD11870191
Purity
95%
Smiles
OCc1ccc(C=O)cc1

Chemical Information

4-(Hydroxymethyl)benzaldehyde
CAS Number52010-97-6
PubChem CID556330
IUPAC Name4-(hydroxymethyl)benzaldehyde
Molecular FormulaC8H8O2
Molecular Weight136.15
XLogP0.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity104
SMILES
C1=CC(=CC=C1CO)C=O
InChI
InChI=1S/C8H8O2/c9-5-7-1-2-8(6-10)4-3-7/h1-5,10H,6H2
InChIKey
ZFHUHPNDGVGXMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Hydroxymethyl)benzaldehyde
CAS: 52010-97-6
CID: 556330
Formula: C8H8O2
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.052429494
Monoisotopic Mass136.052429494
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity104
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

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