AG00IHLC

933755-97-6 | 1-Ethynylcyclopropane carboxylic acid

AG00IHLC

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CAS Number	933755-97-6
Catalog Number	AG00IHLC(AGN-PC-0WAKYI)
Chemical Name	1-Ethynylcyclopropane carboxylic acid
IUPAC Name	1-ethynylcyclopropane-1-carboxylic acid
InChI	InChI=1S/C6H6O2/c1-2-6(3-4-6)5(7)8/h1H,3-4H2,(H,7,8)
InChI Key	XDVAOWPOJWYAHA-UHFFFAOYSA-N
MDL Number	MFCD19231569
Molecular Formula	C6H6O2
Molecular Weight	110.1106
SMILES	O=C(C1(C#C)CC1)O
Synonyms	933755-97-6, 1-ethynylcyclopropanecarboxylic acid, 1-ETHYNYLCYCLOPROPANE-1-CARBOXYLIC ACID, 1-Ethynylcyclopropane carboxylic acid, 1-ethynyl-Cyclopropanecarboxylic acid, ethynylcyclopropanecarboxylic, SCHEMBL11290454, DTXSID10717713, MFCD19231569, ZINC77010745, AKOS006383989, DS-8681, AK174229, AM806590, F2147-3070, Z2738925346,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.037g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	110.112g/mol
Monoisotopic Mass	110.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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