CAS 1072-91-9 | 1,3,5-Trimethylpyrazole | CAS Number 1072-91-9

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1072-91-9 | 1,3,5-Trimethylpyrazole

CAS No: 1072-91-9 Catalog No: AG003DGO MDL No:MFCD00015536

Product Description

Catalog Number:

AG003DGO

Chemical Name:

1,3,5-Trimethylpyrazole

CAS Number:

1072-91-9

Molecular Formula:

C6H10N2

Molecular Weight:

110.1570

MDL Number:

MFCD00015536

IUPAC Name:

1,3,5-trimethylpyrazole

InChI:

InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3

InChI Key:

HNOQAFMOBRWDKQ-UHFFFAOYSA-N

SMILES:

Cc1cc(n(n1)C)C

UNII:

63938V7Z82

Properties

Complexity:

82.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

110.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

110.16g/mol

Monoisotopic Mass:

110.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
A theoretical insight into the reaction mechanism of photochemical transposition from pyrazole to imidazole.	The journal of physical chemistry. A 20081016
Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II) and di-mu-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}.	Acta crystallographica. Section C, Crystal structure communications 20060201