3-isocyanato-4-methylpyridine, 95%

Name: 3-isocyanato-4-methylpyridine
Brand: Chempure

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CAS Number

1007212-62-5

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IUPAC name	3-isocyanato-4-methylpyridine
canonical smiles	CC1=C(C=NC=C1)N=C=O
inchi	InChI=1S/C7H6N2O/c1-6-2-3-8-4-7(6)9-5-10/h2-4H,1H3
inchi key	IFXDWHAYRDJEEB-UHFFFAOYSA-N
molecular formula	C7H6N2O
synonyms	3-isocyanato-4-methylpyridine 1007212-62-5 SCHEMBL2379162 DTXSID50719716 AKOS012631989

Computed Properties

Molecular Weight:	134.14 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	134.048012819 g/mol
Monoisotopic Mass:	134.048012819 g/mol
Topological Polar Surface Area:	42.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	152
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: AX3440

3-isocyanato-4-methylpyridine, 95%

Product No: AX3440

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