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AA00084

100-83-4 | 3-Hydroxybenzaldehyde

Packsize Purity Availability Price Discounted Price    Quantity
25g 98% In Stock US $17.00 $12.00 -   +
500g 98% In Stock US $258.00 $180.00 -   +

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*All prices are in USD.

Description
Catalog Number: AA00084
Chemical Name: 3-Hydroxybenzaldehyde
CAS Number: 100-83-4
Molecular Formula: C7H6O2
Molecular Weight: 122.1213
MDL Number: MFCD00003368
IUPAC Name: 3-hydroxybenzaldehyde
InChl: InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChl Key: IAVREABSGIHHMO-UHFFFAOYSA-N
SMILES: O=Cc1cccc(c1)O
NSC Number: 3504

 

Computed Properties
Complexity: 101  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 122.037g/mol
Formal Charge: 0
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 122.123g/mol
Monoisotopic Mass: 122.037g/mol
Rotatable Bond Count: 1  
Topological Polar Surface Area: 37.3A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.4  

 

 

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