Name: Name:Diethyl 2-allyl-2-(3-phenylprop-2-yn-1-yl)malonate
Brand: Angene
SKU: AG003PG5
Rating: 90 (10 reviews)

Diethyl 2-allyl-2-(3-phenylprop-2-yn-1-yl)malonate

CAS No.:

143633-91-4

Catalog Number:

AG003PG5

Molecular Formula:

C19H22O4

Molecular Weight:

314.3756

Catalog Number:

AG003PG5

Chemical Name:

Diethyl 2-allyl-2-(3-phenylprop-2-yn-1-yl)malonate

CAS Number:

143633-91-4

Molecular Formula:

C19H22O4

Molecular Weight:

314.3756

MDL Number:

MFCD09953493

IUPAC Name:

diethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate

InChI:

InChI=1S/C19H22O4/c1-4-14-19(17(20)22-5-2,18(21)23-6-3)15-10-13-16-11-8-7-9-12-16/h4,7-9,11-12H,1,5-6,14-15H2,2-3H3

InChI Key:

ZSPBIVGRCZUELN-UHFFFAOYSA-N

SMILES:

CCOC(=O)C(C(=O)OCC)(CC#Cc1ccccc1)CC=C

Complexity:

456

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.381g/mol

Monoisotopic Mass:

314.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2