Basic information
- CAS
5463-44-5- Standard SMILES
CCOC(=O)c1[nH]c(C)c([N+](=O)[O-])c1C- InChIKey
AZGXAAUDJWAVHF-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970686
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester
- IUPAC
- ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate
- English name
- 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl ester
- Molecular weight
- 0
Names & synonyms
5463-44-51H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl esterDTXSID30203062NSC 13424RefChem:240513DTXCID30125553Ethyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylatePyrrole-2-carboxylic acid, 3,5-dimethyl-4-nitro-, ethyl esterNSC13424SCHEMBL30234003,5-Dimethyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl esterNSC-13424
Show more names
AKOS000732379SB62662DB-165124ST50339624ethyl 3,5-dimethyl-4-nitropyrrole-2-carboxylateEthyl3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylateEthyl 3,5-dimethyl-4-nitro-1H-pyrrole-2-carboxylate #
Database identifiers
- CAS
5463-44-5- PubChem CID
- 138518
- DTXSID
DTXSID30203062
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
2 records
Compound notes
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