AG003A91

1352492-38-6 | 3-Ethynyl-3-oxetanol

AG003A91

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CAS Number	1352492-38-6
Catalog Number	AG003A91(AGN-PC-0WBS8Y)
Chemical Name	3-Ethynyl-3-oxetanol
IUPAC Name	3-ethynyloxetan-3-ol
InChI	InChI=1S/C5H6O2/c1-2-5(6)3-7-4-5/h1,6H,3-4H2
InChI Key	VDKFNBYHNNAJBC-UHFFFAOYSA-N
MDL Number	MFCD20444449
Molecular Formula	C5H6O2
Molecular Weight	98.0999
SMILES	C(#C)C1(COC1)O
Synonyms	3-ethynyloxetan-3-ol, 1352492-38-6, 3-Ethynyl-3-oxetanol, 3-Ethynyl-oxetan-3-ol, 3-Oxetanol,3-ethynyl-, CTK8E4456, VDKFNBYHNNAJBC-UHFFFAOYSA-N, KS-000007IS, 3907AD, MFCD20444449, ZINC74938385, AKOS016015634, PB19733, DA-11644, AB0198663, TX-015492, CS-0051375, FT-0723966, Q-1598, C5H6O2,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	98.037g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	98.101g/mol
Monoisotopic Mass	98.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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