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3-Azido-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

HCID 15131069
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc2c1CC(N=[N+]=[N-])C(O)C2
InChIKey
KNTBQMOYWJTGOA-UHFFFAOYSA-N
Molecular formula
C11H13N3O2
Average molar mass
219.24 g/mol

Names & identifiers

Preferred name
3-Azido-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
IUPAC
3-azido-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

Names & synonyms

KNTBQMOYWJTGOA-UHFFFAOYSA-N3-azido-5 -methoxy-1,2,3,4-tetrahydronaphthalen-2-ol

Database identifiers

PubChem CID
15131069

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
291

Related reactions

2 records
New reaction record
HRID 161609 reaction equation
HRID 161609As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 975928 reaction equation
HRID 975928As reactantuspto-grants-1997_03

Compound notes

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