Basic information
- CAS
107430-51-3- Standard SMILES
CC1(C)CCC(C)(C)c2cc3cc(-c4ccc(C(=O)O)cc4)ccc3cc21- InChIKey
KBUHKLGVLUHYJL-UHFFFAOYSA-N- Molecular formula
- C25H26O2
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.19328007
Names & identifiers
- Preferred name
- 4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid
- IUPAC
- 4-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)benzoic acid
- English name
- CD 367
- Molecular formula
- C25H26O2
- Molecular weight
- 358.48
Names & synonyms
107430-51-34-TtabCD-3674-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acidSR-3961DTXSID8074443SR3961Benzoic acid, 4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)-RefChem:97274DTXCID1033082CD3674-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)benzoic acid
Show more names
4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylanthracene-2-yl)benzoic acid4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylanthracen)-2-yl]benzoic acid4-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydroanthracene)-2-yl]benzoic acid
CHEMBL36768Benzoic acid,4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)-CD 367KBUHKLGVLUHYJL-UHFFFAOYSA-NSR 3961SCHEMBL3453631SCHEMBL31266609GLXC-03094
Database identifiers
- CAS
107430-51-3- PubChem CID
- 119342
- DTXSID
DTXSID8074443- ChEMBL
CHEMBL36768- Nikkaji
- J428.346E
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- EPA Substance Registry System
- 4 · 4-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)benzoic acid (107430-51-3)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
4 records
Compound notes
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