3-[7,8-bis(deuteriomethyl)-6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl]propanoic acid


Chemical Name: 3-[7,8-bis(deuteriomethyl)-6-hydroxy-2-methyl-3,4-dihydrochromen-2-yl]propanoic acid
CAS Number: 178167-75-4
Product Number: AG0025T9(AGN-PC-00SZKQ)
Synonyms:
MDL No: MFCD01321460
Molecular Formula: C15H20O4
Molecular Weight: 264.3169

Identification/Properties


Computed Properties
Molecular Weight:
264.321g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
264.136g/mol
Monoisotopic Mass:
264.136g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
343
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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


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