Basic information
- CAS
5325-75-7- Standard SMILES
CC(C)(CCC(=O)O)CCC(=O)O- InChIKey
YDUOHBXBLZGANF-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- 4,4-Dimethylheptanedioic acid
- IUPAC
- 4,4-dimethylheptanedioic acid
- English name
- NSC 210
- Molecular formula
- C9H16O4
- Molecular weight
- 188.22094
Names & synonyms
4,4-Dimethylheptanedioic acid5325-75-7Heptanedioic acid, 4,4-dimethyl-4,4-Dimethylpimelic acid05PE073YFVNSC 210NSC-210UNII-05PE073YFVDTXSID40201357RefChem:96371DTXCID40123848YDUOHBXBLZGANF-UHFFFAOYSA-N
Show more names
NSC210DimethylpimelinsaureSCHEMBL11529406
Database identifiers
- CAS
5325-75-7- PubChem CID
- 219213
- DTXSID
DTXSID40201357- UNII
- 05PE073YFV
- Nikkaji
- J1.392.952A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- FDA UNII
- 5 PE073YFV · 05PE073YFV
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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