16681-68-8 - Angene

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1H-[1,2,3]Triazole-4-carbaldehyde

CAS No.:

16681-68-8

Catalog Number:

AG007WIL

Molecular Formula:

C3H3N3O

Molecular Weight:

97.0754

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

100mg

≥ 98% (Assay)

1 week

United States

$199

- +

250mg

≥ 98% (Assay)

1 week

United States

$330

- +

1g

≥ 98% (Assay)

1 week

United States

$696

- +

Product Description

Catalog Number:

AG007WIL

Chemical Name:

1H-[1,2,3]Triazole-4-carbaldehyde

CAS Number:

16681-68-8

Molecular Formula:

C3H3N3O

Molecular Weight:

97.0754

MDL Number:

MFCD06739016

IUPAC Name:

2H-triazole-4-carbaldehyde

InChI:

InChI=1S/C3H3N3O/c7-2-3-1-4-6-5-3/h1-2H,(H,4,5,6)

InChI Key:

MOLKLIYWXFEEJM-UHFFFAOYSA-N

SMILES:

O=Cc1c[nH]nn1

NSC Number:

20115

Properties

Complexity:

74.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

1

Defined Atom Stereocenter Count:

0

Defined Bond Stereocenter Count:

0

Exact Mass:

97.028g/mol

Formal Charge:

0

Heavy Atom Count:

7

Hydrogen Bond Acceptor Count:

3

Hydrogen Bond Donor Count:

1

Isotope Atom Count:

0

Molecular Weight:

97.077g/mol

Monoisotopic Mass:

97.028g/mol

Rotatable Bond Count:

1

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

0

Undefined Bond Stereocenter Count:

0

XLogP3:

-0.6

Literature

Title	Journal
Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control.	International journal of molecular sciences 20110101
Recombinant truncated and microsomal heme oxygenase-1 and -2: differential sensitivity to inhibitors.	Canadian journal of physiology and pharmacology 20100401
Rate of interfacial electron transfer through the 1,2,3-triazole linkage.	The journal of physical chemistry. B 20060817

Properties