Benzeneacetic acid, 3-benzoyl-a-methyl-, (aS)-


Chemical Name: Benzeneacetic acid, 3-benzoyl-a-methyl-, (aS)-
CAS Number: 22161-81-5
Product Number: AG003CKB(AGN-PC-0QYRUV)
Synonyms:
MDL No:
Molecular Formula: C16H14O3
Molecular Weight: 254.2806

Identification/Properties


Properties
MP:
75-78 °C(lit.)
BP:
431.316°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
254.285g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
254.094g/mol
Monoisotopic Mass:
254.094g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
331
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
Danger
UN#:
3077
Hazard Statements:
H301-H315-H319-H335-H400
Precautionary Statements:
P261-P273-P301+P310-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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