Benzonitrile, 4-formyl-3-hydroxy-


Chemical Name: Benzonitrile, 4-formyl-3-hydroxy-
CAS Number: 84102-89-6
Product Number: AG00341Q(AGN-PC-0NKEEC)
Synonyms:
MDL No: MFCD08361770
Molecular Formula: C8H5NO2
Molecular Weight: 147.1308

Identification/Properties


Properties
BP:
276.856°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
147.133g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
147.032g/mol
Monoisotopic Mass:
147.032g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
194
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/BENZONITRILE4-FORMYL-3-HYDROXY-84102-89-6-nmr.pdf

Other Analytical Data


POTHER/4-FORMYL-3-HYDROXYBENZONITRILE-84102-89-6-hplc.pdf

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