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  2. (3S)​-​3-​(4-​Hydroxyphenyl)​-​4-​hexynoic acid ethyl ester

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

(3S)​-​3-​(4-​Hydroxyphenyl)​-​4-​hexynoic acid ethyl ester

CCOC(=O)C[C@@H](c1ccc(cc1)O)C#CC Request for Quotation
Chemical Name: (3S)​-​3-​(4-​Hydroxyphenyl)​-​4-​hexynoic acid ethyl ester
CAS Number: 1292290-97-1
Product Number: AG000YZ9(AGN-PC-0WAKCO)
Synonyms:
MDL No:
Molecular Formula: C14H16O3
Molecular Weight: 232.2750

Identification/Properties

Computed Properties
Molecular Weight:
232.279g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
232.11g/mol
Monoisotopic Mass:
232.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
302
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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