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2-Furancarboxylic acid, 5-amino-, ethyl ester

HCID 167484
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
15856-35-6
Standard SMILES
CCOC(=O)c1ccc(N)o1
InChIKey
PHJNWESTKYPZFO-UHFFFAOYSA-N
Molecular formula
C7H9NO3
Average molar mass
155.15 g/mol
Monoisotopic mass
155.05824315

Names & identifiers

Preferred name
2-Furancarboxylic acid, 5-amino-, ethyl ester
IUPAC
ethyl 5-aminofuran-2-carboxylate

Names & synonyms

15856-35-6Ethyl 5-amino-2-furancarboxylate2-furancarboxylic acid, 5-amino-, ethyl esterDTXSID30166466RefChem:261286DTXCID6088957ethyl 5-aminofuran-2-carboxylateMFCD15143967SCHEMBL6086888PHJNWESTKYPZFO-UHFFFAOYSA-N5-amino-2-furoic acid ethyl-esterAKOS022635319
Show more names
DB-430288EN300-90438H27251F556295

Database identifiers

CAS
15856-35-6
PubChem CID
167484
DTXSID
DTXSID30166466
Nikkaji
J1.932.068E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
11
Formal charge
0
Complexity
149

Related reactions

4 records
New reaction record
HRID 687895 reaction equation
HRID 687895As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 810066 reaction equation
HRID 810066As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 850969 reaction equation
HRID 850969As productuspto-grants-1983_05
HRID 850970 reaction equation
HRID 850970As reactantuspto-grants-1983_05

Compound notes

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