C1C2CC3CC1CC(C2)(C3)CC(=O)O
CAS: 4942-47-6
Nombre: 2-(1-adamantyl)acetic acid
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)O

Molecular Processing

Molecular formula
C12H18O2
Molecular weight
194.27
Exact mass
194.1307
XLogP
2.68
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
52.86

Supplementary Information

InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
Sinónimos
1-Adamantaneacetic acid4942-47-6Tricyclo(3.3.1.13,7)dec-1-ylacetic acidDTXSID90197791Aaa compoundRefChem:899312DTXCID50120282225-585-12-(adamantan-1-yl)acetic acid1-Adamantylacetic acid2-(1-adamantyl)acetic acid1-adamantane acetic acidMFCD00074728Tricyclo[3.3.1.13,7]decane-1-acetic acidadamantaneacetic acidAdamantan-1-yl-acetic acid(adamantan-1-yl)acetic acidadamantan-1-ylacetic acid2-adamantanylacetic acidtricyclo[3.3.1.1~3,7~]dec-1-ylacetic acidTricyclo[3.3.1.1(3,7)-]decane-1-acetic acidF1928-00051-Carboxymethyladamantane2-((3r,5r,7r)-adamantan-1-yl)acetic acidEINECS 225-585-1adamantyl acetic acid1-adamantyl acetic acid1-adamantyl-acetic acidA1ENPAdamantaneacetate (AAC)
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