AG00ACQ4

15022-15-8 | 2-Thiopheneacetaldehyde

AG00ACQ4

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CAS Number	15022-15-8
Catalog Number	AG00ACQ4(AGN-PC-0LTFTQ)
Chemical Name	2-Thiopheneacetaldehyde
IUPAC Name	2-thiophen-2-ylacetaldehyde
InChI	InChI=1S/C6H6OS/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2
InChI Key	JTGKLBDOZYMAEA-UHFFFAOYSA-N
MDL Number	MFCD11592444
Molecular Formula	C6H6OS
Molecular Weight	126.1762
SMILES	O=CCc1cccs1
Synonyms	2-(thiophen-2-yl)acetaldehyde, 15022-15-8, 2-Thiopheneacetaldehyde, thienylethanal, 2-thiophen-2-ylacetaldehyde, 2-thienylacetaldehyde, JTGKLBDOZYMAEA-UHFFFAOYSA-N, thiophene-2-acetaldehyde, (2-Thienyl)acetaldehyde, AC1O5AZ2, SCHEMBL286875, CTK0H3801, DTXSID60424006, MFCD11592444, ZINC19729366, AKOS011897131, AS-50017, SC-91272, CS-0038150, FT-0712058, I14-37271, CID6430722,

Complexity	82.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.173g/mol
Monoisotopic Mass	126.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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