Basic information
- CAS
79817-53-1- Standard SMILES
Cc1ccc(OCCCS(=O)(=O)O)c([N+](=O)[O-])c1- InChIKey
USOXFCZQOCMJEH-UHFFFAOYSA-N- Molecular formula
- C10H13NO6S
- Average molar mass
- 275.28 g/mol
- Monoisotopic mass
- 275.04635831
Names & identifiers
- Preferred name
- 3-(4-Methyl-2-nitrophenoxy)propanesulphonic acid
- IUPAC
- 3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acid
- English name
- 3-(4-methyl-2-nitrophenoxy)propanesulphonic acid
- Molecular formula
- C10H13NO6S
- Molecular weight
- 275.27832
Names & synonyms
CYJ7HC7LTE79817-53-13-(4-Methyl-2-nitrophenoxy)propanesulphonic acidEINECS 279-284-53-(4-Methyl-2-nitrophenoxy)-1-propanesulfonic acid1-PROPANESULFONIC ACID, 3-(4-METHYL-2-NITROPHENOXY)-RefChem:92474279-284-5UNII-CYJ7HC7LTE3-(4-methyl-2-nitrophenoxy)propane-1-sulfonic acidSCHEMBL12781087USOXFCZQOCMJEH-UHFFFAOYSA-N
Show more names
1-Propanesulfonic acid,3-(4-methyl-2-nitrophenoxy)-
DTXSID601000762NS00060460
Database identifiers
- CAS
79817-53-1- PubChem CID
- 3018874
- DTXSID
DTXSID601000762- UNII
- CYJ7HC7LTE
- EC Number
- 279-284-5
- Nikkaji
- J320.172D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- FDA UNII
- 7 HC7LTE · CYJ7HC7LTE
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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