3-methoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

3-methoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

CAS: 872183-39-6

Formula: C14H14O3

SMILES: COC1=C(OCC#C)C(CC=C)=CC(C=O)=C1

IUPAC: 3-methoxy-5-(prop-2-en-1-yl)-4-(prop-2-yn-1-yloxy)benzaldehyde

InChI: InChI=1S/C14H14O3/c1-4-6-12-8-11(10-15)9-13(16-3)14(12)17-7-5-2/h2,4,8-10H,1,6-7H2,3H3

Composition: C (73.03%), H (6.13%), O (20.84%)

Molar Mass: 230.263

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.094294311
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CXEUEEOWEPCZRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.44
Topological Polar Surface Area	35.53
Polarizability	25.12
Ring Count	1
Rotatable Bond Count	6

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