CAS
93284-13-0 Purity
96%
93284-13-0 Purity
96%
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5-(4-Morpholinylmethyl)-3-furoic acid
CAS
932854-92-7
Catalog Number
ACM932854927
Category
Other Products
Molecular Weight
211.214520 [g/mol]
Molecular Formula
C10H13NO4
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Specification
Synonyms
5-(4-Morpholinylmethyl)-3-furoic acid, 932854-92-7, AGN-PC-01FLL1, CTK5H2264, AKOS011550365, AG-H-81282, ST095583, ST50437453, 5-(morpholin-4-ylmethyl)furan-3-carboxylic acid
IUPAC Name
5-(morpholin-4-ylmethyl)furan-3-carboxylic acid
SMILES
C1COCCN1CC2=CC(=CO2)C(=O)O
InChI Key
RAMGTGOTVBPNGM-UHFFFAOYSA-N
Boiling Point
355.2ºC at 760 mmHg
Flash Point
168.6ºC
Density
1.302g/cm³
Exact Mass
211.08400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound 5-(4-Morpholinylmethyl)-3-furoic acid?
The molecular formula is C10H13NO4.
What is the molecular weight of the compound?
The molecular weight is 211.21 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-(morpholin-4-ylmethyl)furan-3-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C10H13NO4/c12-10(13)8-5-9(15-7-8)6-11-1-3-14-4-2-11/h5,7H,1-4,6H2,(H,12,13).
What is the InChIKey of the compound?
The InChIKey is RAMGTGOTVBPNGM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1COCCN1CC2=CC(=CO2)C(=O)O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -2.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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