AG00EBOY

61266-36-2 | Methyl 4-(3-hydroxyprop-1-ynyl)benzoate

AG00EBOY

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CAS Number	61266-36-2
Catalog Number	AG00EBOY(AGN-PC-0LBAVB)
Chemical Name	Methyl 4-(3-hydroxyprop-1-ynyl)benzoate
IUPAC Name	methyl 4-(3-hydroxyprop-1-ynyl)benzoate
InChI	InChI=1S/C11H10O3/c1-14-11(13)10-6-4-9(5-7-10)3-2-8-12/h4-7,12H,8H2,1H3
InChI Key	QFLBWNWKBXCHKS-UHFFFAOYSA-N
MDL Number	MFCD00168848
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	O=C(OC)C1=CC=C(C#CCO)C=C1
Synonyms	61266-36-2, methyl 4-(3-hydroxyprop-1-ynyl)benzoate, methyl 4-(3-hydroxyprop-1-yn-1-yl)benzoate, 4-(3-Hydroxy-prop-1-ynyl)-benzoic acid methyl ester, AC1NBT7L, SCHEMBL4990465, CTK5B2962, DTXSID40403410, QFLBWNWKBXCHKS-UHFFFAOYSA-N, KS-00000NR5, ZINC2534488, ZX-AT001654, FCH918597, KM0482, MFCD00168848, OR7570, Methyl 4-(3-hydroxypropynyl)benzoate, AKOS004117922, PS-5919, AK188608, methyl 4-(3-hydroxy-1-propinyl)benzoate, 4-(3-Hydroxy-1-propynyl)benzoic acid methyl ester, 4-(3-hydroxy-prop-1-ynyl)-benzoic acid m ethyl ester, Benzoic acid, 4-(3-hydroxy-1-propyn-1-yl)-, methyl ester, 4- -BENZOICACIDMETHYLESTER, ZINC02534488, CID4448596,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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