2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)- - CAS 400750-49-4

Catalog:	BB050535
Product Name:	2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)-
CAS:	400750-49-4
Synonyms:	5-(pyrrolidin-1-ylmethyl)-2-furoic acid; 5-Pyrrolidin-1-ylmethyl-furan-2-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	5-(pyrrolidin-1-ylmethyl)furan-2-carboxylic acid
Description:	2-Furancarboxylic acid,5-(1-pyrrolidinylmethyl)- (CAS# 400750-49-4 ) is a useful research chemical.
Molecular Weight:	195.21
Molecular Formula:	C10H13NO3
Canonical SMILES:	C1CCN(C1)CC2=CC=C(O2)C(=O)O
InChI:	InChI=1S/C10H13NO3/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChI Key:	XMFACEUEFDPCDJ-UHFFFAOYSA-N
Boiling Point:	325.0±32.0 °C at 760 mmHg
Purity:	95 %
Density:	1.272 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Furans

[378767-86-3]
5-((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
[438222-01-6]
5-[(2-Isopropyl-5-methylphenoxy)methyl]-2-furohydrazide
[438218-12-3]
5-[(2-Methoxyphenoxy)methyl]furan-2-carbaldehyde
[438221-54-6]
5-[(3-Bromophenoxy)methyl]furan-2-carbaldehyde
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[667920-77-6]
Ethyl 5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate

Pyrrolidines

[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[55727-59-8]
2-(Pyrrolidin-1-ylmethyl)aniline
[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[98435-76-8]
1-Ethyl-L-proline
[75847-73-3]
Enalapril
[54716-02-8]
Ethyl (E)-3-(1-pyrrolidinyl)crotonate

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.08954328
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1