AG00704A

13714-86-8 | 2-Furancarbonitrile,5-methyl-

AG00704A

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CAS Number	13714-86-8
Catalog Number	AG00704A(AGN-PC-0JU818)
Chemical Name	2-Furancarbonitrile,5-methyl-
IUPAC Name	5-methylfuran-2-carbonitrile
InChI	InChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChI Key	XGCRBVWSFYTMEC-UHFFFAOYSA-N
MDL Number	MFCD02093782
Molecular Formula	C6H5NO
Molecular Weight	107.1100
SMILES	N#CC1=CC=C(C)O1
Synonyms	5-methyl-2-furonitrile, 13714-86-8, 5-methylfuran-2-carbonitrile, 2-furancarbonitrile, 5-methyl-, 5-methyl-2-Furancarbonitrile, 2-Furancarbonitrile,5-methyl-, 5-methyl-furan-2-carbonitrile, AC1LD4AP, AC1Q2MNF, 2-Methylfuran-5-carbonitrile, SCHEMBL1489553, 5-Methyl-2-furonitrile, 97%, CTK4C0666, DTXSID80348977, XGCRBVWSFYTMEC-UHFFFAOYSA-N, HMS1783O18, ZINC403421, ALBB-016420, 4023AD, MFCD02093782, AKOS001058971, MCULE-5370154607, AJ-22088, DB-063187, FT-0684032, R5541, EN300-26733, J-006964, I14-22292, Z56963430, InChI=1/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H, C6H5NO, CID642108, ZINC00403421,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	107.037g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	107.112g/mol
Monoisotopic Mass	107.037g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H312-H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 1993

Certificate of Analysis

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