Basic information
- CAS
31772-89-1- Standard SMILES
CC1=NC1C(=O)O- InChIKey
NHCHAEIJXKFNRU-UHFFFAOYSA-N- Molecular formula
- C4H5NO2
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.0320284
Names & identifiers
- Preferred name
- Azirinomycin
- IUPAC
- 3-methyl-2H-azirine-2-carboxylic acid
- English name
- 3-Methyl-2H-azirine-2-carboxylic acid
- Molecular formula
- C4H5NO2
- Molecular weight
- 99.09
Names & synonyms
Azirinomycin31772-89-1BRN 03859552H-AZIRINE-2-CARBOXYLIC ACID, 3-METHYL-RefChem:1161303-Methyl-2H-azirine-2-carboxylate3-Methyl-2H-azirine-2-carboxylic acid2H-Azirine-2-carboxylicacid, 3-methyl-orb3024231SCHEMBL16431853DTXSID10953710HY-N15022
Show more names
AKOS0063794523-methyl-2H-azirene-2-carboxylic acidTN106903-methyl-2(2h)-azirine carboxylic acidDB-241108
Database identifiers
- CAS
31772-89-1- PubChem CID
- 35931
- DTXSID
DTXSID10953710- Nikkaji
- J19.724F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 139
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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