AG00DHZE

4361-27-7 | 3-Cyclohexylpropiolic acid

AG00DHZE

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CAS Number	4361-27-7
Catalog Number	AG00DHZE(AGN-PC-007WUB)
Chemical Name	3-Cyclohexylpropiolic acid
IUPAC Name	3-cyclohexylprop-2-ynoic acid
InChI	InChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-5H2,(H,10,11)
InChI Key	KMRBXDYETYBRAQ-UHFFFAOYSA-N
MDL Number	MFCD20347444
Molecular Formula	C9H12O2
Molecular Weight	152.1904
SMILES	C1CCC(CC1)C#CC(=O)O
Synonyms	3-Cyclohexylpropiolic acid, 4361-27-7, 3-cyclohexylprop-2-ynoic Acid, Cyclohexanepropiolic acid, Hexahydrophenylpropiolsaure, SCHEMBL420248, 2-Propynoic acid,3-cyclohexyl-, CTK1C8084, DTXSID00463994, 2-Propynoic acid, 3-cyclohexyl-, 6023AB, ANW-75408, MFCD20347444, ZINC34518885, AKOS013858612, AJ-89055, AS-50127, TC-164153, 3-Cyclohexylpropiolicacid, C9H12O2, CID11378599,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.193g/mol
Monoisotopic Mass	152.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1760

Certificate of Analysis

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