1H-Tetrazole-5-acetic acid - CAS 21743-75-9

Name: 1H-Tetrazole-5-acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017128
Product Name:	1H-Tetrazole-5-acetic acid
CAS:	21743-75-9
Synonyms:	2-(2H-tetrazol-5-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(2H-tetrazol-5-yl)acetic acid
Description:	1H-Tetrazole-5-acetic acid (CAS# 21743-75-9) is a useful research chemical.
Molecular Weight:	128.09
Molecular Formula:	C3H4N4O2
Canonical SMILES:	C(C1=NNN=N1)C(=O)O
InChI:	InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)
InChI Key:	JUNAPQMUUHSYOV-UHFFFAOYSA-N
Boiling Point:	451 °C at 760 mmHg
Density:	1.71 g/cm³
Appearance:	White powder
MDL:	MFCD03094010
LogP:	-1.17320

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Triazole/Tetrazole

[1855888-97-9]C12H18Cl2N4
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[828291-81-2]C17H16BrN3OS
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823402-86-3]C7H10BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]C6H10N4O2
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate
[1823402-73-8]C8H12ClN3O2
Ethyl 4-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.03342538
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	128.03342538
Rotatable Bond Count:	2
Topological Polar Surface Area:	91.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1