Benzoic acid, (1-methylethyl)-


Chemical Name: Benzoic acid, (1-methylethyl)-
CAS Number: 2438-04-2
Product Number: AG00C4EF(AGN-PC-0D8B4T)
Synonyms:
MDL No:
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
163
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


Other Analytical Data


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