C1C2CC3CC1CC(C2)(C3)C(=O)O
CAS: 828-51-3
Nombre: adamantane-1-carboxylic acid
SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O

Molecular Processing

Molecular formula
C11H16O2
Molecular weight
180.25
Exact mass
180.115
XLogP
2.29
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
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
0.909
Molar refractivity
48.24

Supplementary Information

InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N
Sinónimos
1-Adamantanecarboxylic acid828-51-3Adamantoic acidAdamantanecarboxylic acidRefChem:552944DTXCID101505931DTXSID901020894212-584-6Adamantane-1-carboxylic acid1-Carboxyadamantane1-adamantane carboxylic acidMFCD000747203-ADAMANTANECARBOXYLIC ACIDCHEMBL1705681-Adamantane-1-carboxylic acidtricyclo[3.3.1.1~3,7~]decane-1-carboxylic acid(3r,5r,7r)-adamantane-1-carboxylic acidTricyclo[3.3.1.13,7]decane-1-carboxylic acidadamantane-carboxylic acidEINECS 212-584-6NSC 941821-adamantyl carboxylic acidAI3-524311-Adamantoic Acid1-Adamantanecarboxylic Acid; 1-Adamantane-1-carboxylic Acid; 1-Adamantylcarboxylic Acid; 1-Carboxyadamantane; NSC 94182; Tricyclo[3.3.1.13,7]decane-1-carboxylic AcidadamantanecarboxylateTricyclo(3.3.1.1'3,7)decane-1-carboxylic acidAdamantylcarboxylic acidadmantane carboxylic acidEnamine_000586
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