C1C2CC3(CC1CC(C2)(C3)O)C(=O)C(=O)O
CAS: 709031-28-7
Name: 2-(3-hydroxy-1-adamantyl)-2-oxoacetic acid
SMILES: C1C2CC3(CC1CC(C2)(C3)O)C(=O)C(=O)O

Molecular Processing

Molecular formula
C12H16O4
Molecular weight
224.26
Exact mass
224.1049
XLogP
0.97
TPSA
74.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
54.71

Supplementary Information

InChIKey: UDKIRRNUAXWHTO-UHFFFAOYSA-N
Synonyme
2-(3-HYDROXY-1-ADAMANTYL)-2-OXOACETIC ACIDRefChem:455604709031-28-72-(3-Hydroxyadamantan-1-yl)-2-oxoacetic acidTricyclo[3.3.1.13,7]decane-1-acetic acid, 3-hydroxy-a-oxo-MFCD131859132-(3-hydroxy-1-adamantyl)-2-oxo-acetic Acid(3-HYDROXYADAMANTAN-1-YL)(OXO)ACETIC ACIDSCHEMBL1597413-hydroxyadamantaneglyoxylic acidSCHEMBL14455208DTXSID10440377UDKIRRNUAXWHTO-UHFFFAOYSA-N3-Hydroxy-alpha-oxotricyclo[3.3.1.13,7]decane-1-acetic acidAKOS016010210AC-26401(3-hydroxy-adamantan-1-yl)-oxo-acetic acidCS-03429903-hydroxy- alpha-oxoadamantane-1-acetic acidG70231F737854(3-Hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)(oxo)acetic acid3-Hydroxy-alpha-oxotricyclo-[3.3.1.13,7]decane-1-acetic acid3-hydroxy-alpha-oxotricyclo[3.3.1.13,7]-decane-1-acetic acid
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