2-Propenoic acid, 3-(3-formylphenyl)-, (E)-


Chemical Name: 2-Propenoic acid, 3-(3-formylphenyl)-, (E)-
CAS Number: 74815-17-1
Product Number: AG00G7SF(AGN-PC-0OHISK)
Synonyms:
MDL No:
Molecular Formula: C10H8O3
Molecular Weight: 176.16872

Identification/Properties


Computed Properties
Molecular Weight:
176.17g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
176.047344g/mol
Monoisotopic Mass:
176.047344g/mol
Topological Polar Surface Area:
54.4Ų
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
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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