ethyl 4-(prop-2-yn-1-yloxy)benzoate

ethyl 4-(prop-2-yn-1-yloxy)benzoate

CAS: 175203-55-1

Formula: C12H12O3

SMILES: CCOC(=O)C1=CC=C(OCC#C)C=C1

IUPAC: ethyl 4-(prop-2-yn-1-yloxy)benzoate

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

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 204.225

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.078644246
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DOPMGPGSHHDYRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.88
Topological Polar Surface Area	35.53
Polarizability	21.69
Ring Count	1
Rotatable Bond Count	5

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