AG00FBHN

6914-73-4 | 1-CYANO-CYCLOPROPANECARBOXYLIC ACIDMETHYL ESTER

AG00FBHN

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CAS Number	6914-73-4
Catalog Number	AG00FBHN(AGN-PC-0JQAMY)
Chemical Name	1-CYANO-CYCLOPROPANECARBOXYLIC ACIDMETHYL ESTER
IUPAC Name	methyl 1-cyanocyclopropane-1-carboxylate
InChI	InChI=1S/C6H7NO2/c1-9-5(8)6(4-7)2-3-6/h2-3H2,1H3
InChI Key	QNQYMXXUAFDGIQ-UHFFFAOYSA-N
MDL Number	MFCD09033250
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
NSC Number	600026
SMILES	C(#N)C1(CC1)C(=O)OC
Synonyms	methyl 1-cyanocyclopropanecarboxylate, 6914-73-4, methyl 1-cyanocyclopropane-1-carboxylate, 1-CYANO-CYCLOPROPANECARBOXYLIC ACIDMETHYL ESTER, 1-CYANO-CYCLOPROPANECARBOXYLIC ACID METHYL ESTER, NSC600026, AC1L71IO, SCHEMBL3552682, methylcyanocyclopropanecarboxylate, CTK5C9149, DTXSID90326529, QNQYMXXUAFDGIQ-UHFFFAOYSA-N, KS-000024BF, ZINC1607440, 8212AE, MFCD09033250, SBB085585, AKOS005072160, AB49378, DC-0807, MCULE-3218753187, NSC-600026, RP09673, AJ-28166, BC220941, TR-023025, CS-0090840, FT-0680927, 1-Cyanocyclopropanecarboxylic acid methyl ester, Z-1722, 1-cyano-cyclopropane-1-carboxylic acid methyl ester, J-521760, I14-26370, Z1324054922, CYCLOPROPANECARBOXYLIC ACID, 1-CYANO-, METHYL ESTER, C6H7NO2, 1-Cyano-cyclopropanecarboxylic acid, CID353030,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P311
UN Code	UN 2810

Certificate of Analysis

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