2-(2H-1,3-benzodioxol-5-ylmethoxy)benzaldehyde

2-(2H-1,3-benzodioxol-5-ylmethoxy)benzaldehyde

CAS: 842957-76-0

Formula: C15H12O4

SMILES: O=CC1=C(OCC2=CC3=C(OCO3)C=C2)C=CC=C1

IUPAC: 2-[(2H-1,3-benzodioxol-5-yl)methoxy]benzaldehyde

InChI: InChI=1S/C15H12O4/c16-8-12-3-1-2-4-13(12)17-9-11-5-6-14-15(7-11)19-10-18-14/h1-8H,9-10H2

Composition: C (70.31%), H (4.72%), O (24.97%)

Molar Mass: 256.257

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.073558866
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZASDUQWLROGIHF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.48
Topological Polar Surface Area	44.76
Polarizability	26.8
Ring Count	3
Rotatable Bond Count	4

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