AG005SBZ

760-58-7 | 2-Pentenoic acid,2-cyano-4-methyl-

AG005SBZ

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CAS Number	760-58-7
Catalog Number	AG005SBZ(AGN-PC-0U8WQP)
Chemical Name	2-Pentenoic acid,2-cyano-4-methyl-
IUPAC Name	(E)-2-cyano-4-methylpent-2-enoic acid
InChI	InChI=1S/C7H9NO2/c1-5(2)3-6(4-8)7(9)10/h3,5H,1-2H3,(H,9,10)/b6-3+
InChI Key	JYFREZOLRUHBAQ-ZZXKWVIFSA-N
MDL Number	MFCD22377852
Molecular Formula	C7H9NO2
Molecular Weight	139.1519
NSC Number	158372
SMILES	CC(C)/C=C(C#N)/C(O)=O
Synonyms	2-cyano-4-methylpent-2-enoic acid, 760-58-7, (E)-2-cyano-4-methylpent-2-enoic acid, NSC158372, AC1NZB8W, SCHEMBL15440, ZINC1605964, MFCD22377852, AKOS030524085, NSC-158372, RP20523, DS-19391, CID5956093,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	139.063g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	139.154g/mol
Monoisotopic Mass	139.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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