Benzeneacetic acid, 4-formyl-, methyl ester


Chemical Name: Benzeneacetic acid, 4-formyl-, methyl ester
CAS Number: 96524-70-8
Product Number: AG00IJTQ(AGN-PC-02C4AC)
Synonyms:
MDL No:
Molecular Formula: C10H10O3
Molecular Weight: 178.1846

Identification/Properties


Computed Properties
Molecular Weight:
178.187g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
178.063g/mol
Monoisotopic Mass:
178.063g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
181
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:
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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