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9-Hydroxymethyl-9,10-dihydro-9,10-methanoanthracene

HCID 13069082
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCC12CC(c3ccccc31)c1ccccc12
InChIKey
QSCXNFMVBPYYDL-UHFFFAOYSA-N
Molecular formula
C16H14O
Average molar mass
222.28 g/mol

Names & identifiers

Preferred name
9-Hydroxymethyl-9,10-dihydro-9,10-methanoanthracene
IUPAC
1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethanol

Names & synonyms

SCHEMBL11257299QSCXNFMVBPYYDL-UHFFFAOYSA-N9-hydroxymethyl-9,10-dihydro-9,10-methanoanthracene

Database identifiers

PubChem CID
13069082

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
287

Related reactions

6 records
New reaction record
HRID 27947 reaction equation
HRID 27947As reactantuspto-grants-1980_09
HRID 27958 reaction equation
HRID 27958As productuspto-grants-1980_09
HRID 196558 reaction equation
HRID 196558As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2198635 reaction equation
HRID 2198635As reactantuspto-grants-1982_11
HRID 2198646 reaction equation
HRID 2198646As productuspto-grants-1982_11
HRID 2312615 reaction equation
HRID 2312615As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes