Tricyclo(3.3.1.13,7)dec-1,3-diyldi(acetic acid)
Properties
- Molecular formula
- C14H20O4
- Molar mass
- 252.31 g/mol
- Exact mass
- 252.1362 Da
- Melting point
- 244–244.5 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
17768-28-4SMILES
O=C(O)CC12CC3CC(C1)CC(CC(=O)O)(C3)C2InChIKey
UTENGZNBNPABQE-UHFFFAOYSA-NInChI
InChI=1S/C14H20O4/c15-11(16)6-13-2-9-1-10(4-13)5-14(3-9,8-13)7-12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1,3-Adamantanediacetic acid
- Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid
- 1,3-Bis(carboxymethyl)adamantane
- 2,2′-(Adamantane-1,3-diyl)diacetic acid
- 2-[3-(Carboxymethyl)adamantan-1-yl]acetic acid
- 2-[3-(Carboxymethyl)-1-adamantyl]acetic acid
Work with Tricyclo(3.3.1.13,7)dec-1,3-diyldi(acetic acid)
Similar compounds
1-Adamantaneacetic acid4942-47-677 % similar
2-(3-Hydroxyadamantan-1-yl)acetic acid17768-36-477 % similar
1,1-Cyclopentanediacetic acid16713-66-948 % similar
1,1-Cyclohexanediacetic acid4355-11-747 % similar
1-(Mercaptomethyl)cyclopropaneacetic acid162515-68-644 % similar
1,3-Adamantanedicarboxylic acid39269-10-844 % similar
3,3,3-Trifluoropropionic acid2516-99-641 % similar
3,3-Dimethylbutanoic acid1070-83-340 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds