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Carbamic acid, 9H-xanthen-9-yl-, 2-methoxyphenyl ester

HCID 699558
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
312523-50-5
Standard SMILES
COc1ccccc1OC(=O)NC1c2ccccc2Oc2ccccc21
InChIKey
WIKXFGSTUUHZET-UHFFFAOYSA-N
Molecular formula
C21H17NO4
Average molar mass
347.4 g/mol
Monoisotopic mass
347.11575802

Names & identifiers

Preferred name
Carbamic acid, 9H-xanthen-9-yl-, 2-methoxyphenyl ester
IUPAC
(2-methoxyphenyl) N-(9H-xanthen-9-yl)carbamate

Names & synonyms

Carbamic acid, 9H-xanthen-9-yl-, 2-methoxyphenyl ester312523-50-5RefChem:3322902-methoxyphenyl 9H-xanthen-9-ylcarbamate(2-methoxyphenyl) N-(9H-xanthen-9-yl)carbamateOprea1_107599DTXSID101208983AKOS003375386ST45001226ST50820159(2-methoxyphenoxy)-N-xanthen-9-ylcarboxamideAG-205/12646080
Show more names
SR-01000524077SR-01000524077-1

Database identifiers

CAS
312523-50-5
PubChem CID
699558
DTXSID
DTXSID101208983

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
56.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
463

Related reactions

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Compound notes

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