AG0098Y0

Name: Methyl 3-(3-hydroxyprop-1-ynyl)benzoate
Brand: Angene Chemical
SKU: AG0098Y0

121114-45-2 | Methyl 3-(3-hydroxyprop-1-ynyl)benzoate

AG0098Y0

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CAS Number	121114-45-2
Catalog Number	AG0098Y0(AGN-PC-0L5JNV)
Chemical Name	Methyl 3-(3-hydroxyprop-1-ynyl)benzoate
IUPAC Name	methyl 3-(3-hydroxyprop-1-ynyl)benzoate
InChI	InChI=1S/C11H10O3/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2,4,6,8,12H,7H2,1H3
InChI Key	NZCZFVYRCHQNLP-UHFFFAOYSA-N
MDL Number	MFCD04039139
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	O=C(OC)C1=CC=CC(C#CCO)=C1
Synonyms	methyl 3-(3-hydroxyprop-1-ynyl)benzoate, 121114-45-2, methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate, 3-(3-Hydroxy-prop-1-ynyl)-benzoic acid methyl ester, AC1N3H19, SCHEMBL5663849, CTK8A1007, KS-00002AJF, ZINC2525685, MFCD04039139, AKOS004117921, PS-5918, Z2687203824, 3-(3-HYDROXY-PROP-1-YNYL)-BENZOIC ACID METHYLESTER, Benzoic acid, 3-(3-hydroxy-1-propyn-1-yl)-, methyl ester, ZINC02525685, CID4112348,

Complexity	258
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	1.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited