Name: Name:Benzeneacetic acid, 4-(Methoxycarbonyl)-α,α-di-2-propyn-1-yl-, Methyl ester
Brand: Angene
SKU: AG008TE3
Rating: 90 (10 reviews)

Benzeneacetic acid, 4-(Methoxycarbonyl)-α,α-di-2-propyn-1-yl-, Methyl ester

CAS No.:

1026380-17-5

Catalog Number:

AG008TE3

Molecular Formula:

C17H16O4

Molecular Weight:

284.3065

Catalog Number:

AG008TE3

Chemical Name:

Benzeneacetic acid, 4-(Methoxycarbonyl)-α,α-di-2-propyn-1-yl-, Methyl ester

CAS Number:

1026380-17-5

Molecular Formula:

C17H16O4

Molecular Weight:

284.3065

MDL Number:

MFCD26961011

IUPAC Name:

methyl 4-(4-methoxycarbonylhepta-1,6-diyn-4-yl)benzoate

InChI:

InChI=1S/C17H16O4/c1-5-11-17(12-6-2,16(19)21-4)14-9-7-13(8-10-14)15(18)20-3/h1-2,7-10H,11-12H2,3-4H3

InChI Key:

XLNKCMVSYGASNC-UHFFFAOYSA-N

SMILES:

C#CCC(c1ccc(cc1)C(=O)OC)(C(=O)OC)CC#C

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.311g/mol

Monoisotopic Mass:

284.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6