Name: Name:Benzoic acid, 4-(2-propyn-1-yloxy)-, ethyl ester
Brand: Angene
SKU: AG0020IZ
Rating: 90 (10 reviews)

Benzoic acid, 4-(2-propyn-1-yloxy)-, ethyl ester

CAS No.:

175203-55-1

Catalog Number:

AG0020IZ

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

Catalog Number:

AG0020IZ

Chemical Name:

Benzoic acid, 4-(2-propyn-1-yloxy)-, ethyl ester

CAS Number:

175203-55-1

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

MDL Number:

MFCD00114883

IUPAC Name:

ethyl 4-prop-2-ynoxybenzoate

InChI:

InChI=1S/C12H12O3/c1-3-9-15-11-7-5-10(6-8-11)12(13)14-4-2/h1,5-8H,4,9H2,2H3

InChI Key:

DOPMGPGSHHDYRD-UHFFFAOYSA-N

SMILES:

C#CCOc1ccc(cc1)C(=O)OCC

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.225g/mol

Monoisotopic Mass:

204.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9