AG003H8A

38846-64-9 | 2-Ethynylbenzaldehyde

AG003H8A

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CAS Number	38846-64-9
Catalog Number	AG003H8A(AGN-PC-0JU78M)
Chemical Name	2-Ethynylbenzaldehyde
IUPAC Name	2-ethynylbenzaldehyde
InChI	InChI=1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
InChI Key	ZEDSAJWVTKUHHK-UHFFFAOYSA-N
MDL Number	MFCD04039985
Molecular Formula	C9H6O
Molecular Weight	130.1433
SMILES	C(#C)c1c(C=O)cccc1
Synonyms	2-ethynylbenzaldehyde, ethynylbenzaldehyde, ortho-ethynylbenzaldehyde, 2-ethynylbenzaldehyde, 38846-64-9, benzaldehyde, 2-ethynyl-, Benzaldehyde,2-ethynyl-, ethynyl benzaldehyde, ACMC-20anvv, 2-ethynyl-benzaldehyde, AC1LD0IT, 2-Ethynylbenzaldehyde, 97%, SCHEMBL711033, CHEMBL232450, CTK4I0568, KS-00000MYV, DTXSID90348726, ZEDSAJWVTKUHHK-UHFFFAOYSA-N, ZINC2526550, MFCD04039985, AKOS005254645, AB17472, CS-W005336, GL-0049, MCULE-9697350873, PS-3046, VZ24533, AJ-37624, AK157709, AB1007692, DB-021054, TR-015633, FT-0639499, X5270, A824302, W-202607, InChI=1/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7, null, Ethynylbenzaldehyde, C9H6O, Benzaldehyde, 2-ethynyl- (9CI), CID640368, ACN-043747,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.146g/mol
Monoisotopic Mass	130.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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