AG00C0Q8

33578-00-6 | 2-Ethynyl-Benzoic Acid

AG00C0Q8

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CAS Number	33578-00-6
Catalog Number	AG00C0Q8(AGN-PC-0NJWK3)
Chemical Name	2-Ethynyl-Benzoic Acid
IUPAC Name	2-ethynylbenzoic acid
InChI	InChI=1S/C9H6O2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H,(H,10,11)
InChI Key	IOSGANIYBODQTB-UHFFFAOYSA-N
MDL Number	MFCD06203346
Molecular Formula	C9H6O2
Molecular Weight	146.1427
SMILES	O=C(O)C1=CC=CC=C1C#C
Synonyms	2-Ethynylbenzoic acid, 33578-00-6, 2-ETHYNYL-BENZOIC ACID, Benzoic acid, 2-ethynyl-, (2-ethynyl)benzoic acid, 2-ethynylbenzoicacid, ethynylbenzoic acid, o-Ethynylbenzoicacid, SCHEMBL688471, AMBZ0196, DTXSID60506937, MFCD06203346, ZINC15022006, AKOS005259788, ACN-049155, AM85731, DS-6195, RL03238, KS-00000N18, AJ-67083, AK129466, SY101655, AB1007694, DB-021055, TR-014040, 4CH-024926, CS-0059275, FT-0695105, ST24040563, X5254, MFCD06203346 (95%), A821855, W-202376, F2147-2793, 2-ETHYNYL-BENZOICACID, C9H6O2, Benzoic acid, 2-ethynyl- (9CI),

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.145g/mol
Monoisotopic Mass	146.037g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number