Benzeneacetic acid, 4-formyl-


Chemical Name: Benzeneacetic acid, 4-formyl-
CAS Number: 34841-47-9
Product Number: AG00CKOH(AGN-PC-0077NR)
Synonyms:
MDL No: MFCD09998872
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
169
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

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NMR Spectrum


Other Analytical Data


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