CAS 101532-23-4 | Benzoic acid, 4-methoxy-, 2-propyn-1-yl ester | CAS Number 101532-23-4

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101532-23-4 | Benzoic acid, 4-methoxy-, 2-propyn-1-yl ester

CAS No: 101532-23-4 Catalog No: AG0004QE MDL No:

Product Description

Catalog Number:

AG0004QE

Chemical Name:

Benzoic acid, 4-methoxy-, 2-propyn-1-yl ester

CAS Number:

101532-23-4

Molecular Formula:

C11H10O3

Molecular Weight:

190.1953

IUPAC Name:

prop-2-ynyl 4-methoxybenzoate

InChI:

InChI=1S/C11H10O3/c1-3-8-14-11(12)9-4-6-10(13-2)7-5-9/h1,4-7H,8H2,2H3

InChI Key:

LYTIBVJBIRGRAK-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=O)OCC#C

NSC Number:

22559

Properties

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.198g/mol

Monoisotopic Mass:

190.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Ovicide-induced serosa degeneration and its impact on embryonic development in Manduca sexta (Insecta: Lepidoptera).	Tissue & cell 20030401
Chemical inactivation of the cinnamate 4-hydroxylase allows for the accumulation of salicylic acid in elicited cells.	Plant physiology 20021001