Basic information
- CAS
3692-90-8- Standard SMILES
C#CCOc1cccc(OC(=O)NC)c1- InChIKey
QEAULWXPIOSTCA-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)
- IUPAC
- (3-prop-2-ynoxyphenyl) N-methylcarbamate
Names & synonyms
3692-90-8RefChem:1094883Phenol, 3-(2-propyn-1-yloxy)-, 1-(N-methylcarbamate)Hercules 87173-Propargyloxyphenyl-N-methyl-carbamateHE 8717H 8717ENT 25,732NC 22193-(2-Propynyloxy)phenyl-N-methylcarbamatePhenol, 3-(2-propynyloxy)-, methylcarbamateCarbamic acid, methyl-, m-(2-propynyloxy)phenyl ester
Show more names
BRN 2051500AI3-257323-(2-PROPYNYLOXY)PHENOL METHYLCARBAMATEDTXSID40958117QEAULWXPIOSTCA-UHFFFAOYSA-Nm-(2-Propynyloxy)phenyl methylcarbamate3-(2-Propynyloxy)phenyl methylcarbamate #Phenol, m-(2-propynyloxy)-, methylcarbamate
Database identifiers
- CAS
3692-90-8- PubChem CID
- 19403
- DTXSID
DTXSID40958117- Nikkaji
- J8.215E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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