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Methyl (4-acetylphenyl)carbamate

HCID 301079
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
60677-43-2
Standard SMILES
COC(=O)Nc1ccc(C(C)=O)cc1
InChIKey
DQFHKHFFKZUKEP-UHFFFAOYSA-N
Molecular formula
C10H11NO3
Average molar mass
193.2 g/mol
Monoisotopic mass
193.07389321

Names & identifiers

Preferred name
Methyl (4-acetylphenyl)carbamate
IUPAC
methyl N-(4-acetylphenyl)carbamate

Names & synonyms

60677-43-2Methyl (4-acetylphenyl)carbamateDTXSID20306511RefChem:353069DTXCID00257638methyl N-(4-acetylphenyl)carbamateCarbamic acid, N-(4-acetylphenyl)-, methyl esterNSC177022methyl-4-acetylphenylcarbamateSCHEMBL2094516SCHEMBL2094519DQFHKHFFKZUKEP-UHFFFAOYSA-N
Show more names
AKOS000209870NSC-177022DS-007399

Database identifiers

CAS
60677-43-2
PubChem CID
301079
DTXSID
DTXSID20306511
Nikkaji
J2.058.060G

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
219

Related reactions

7 records
New reaction record
HRID 155291 reaction equation
HRID 155291As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 889556 reaction equation
HRID 889556As productuspto-grants-2012_08
HRID 1176083 reaction equation
HRID 1176083As productuspto-grants-2010_11
HRID 1550630 reaction equation
HRID 1550630As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1865558 reaction equation
HRID 1865558As productuspto-grants-2009_12
HRID 1911693 reaction equation
HRID 1911693As productuspto-grants-2013_12
HRID 1958865 reaction equation
HRID 1958865As productuspto-grants-2013_04

Compound notes

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