1-Methyl-1H-1,2,3-triazole-4-methanol - CAS 77177-21-0

Catalog:	BB035850
Product Name:	1-Methyl-1H-1,2,3-triazole-4-methanol
CAS:	77177-21-0
Synonyms:	(1-methyl-4-triazolyl)methanol; (1-methyltriazol-4-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(1-methyltriazol-4-yl)methanol
Description:	1-Methyl-1H-1,2,3-triazole-4-methanol (CAS# 77177-21-0) is a useful research chemical.
Molecular Weight:	113.12
Molecular Formula:	C4H7N3O
Canonical SMILES:	CN1C=C(N=N1)CO
InChI:	InChI=1S/C4H7N3O/c1-7-2-4(3-8)5-6-7/h2,8H,3H2,1H3
InChI Key:	XKKMMJLWDOKNEW-UHFFFAOYSA-N
LogP:	-0.69260

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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

Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.058911855
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.058911855
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.2