2-Hydroxycinnamic acid, predominantly trans


Chemical Name: 2-Hydroxycinnamic acid, predominantly trans
CAS Number: 614-60-8
Product Number: AG00IAUZ(AGN-PC-0WAFZ7)
Synonyms:
MDL No:
Molecular Formula: C9H8O3
Molecular Weight: 164.1580

Identification/Properties


Computed Properties
Molecular Weight:
164.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
164.047g/mol
Monoisotopic Mass:
164.047g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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