2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

CAS: 29668-43-7

Formula: C9H8O3

SMILES: O=CC1=CC=CC2=C1OCCO2

IUPAC: 2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

InChI: InChI=1S/C9H8O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,6H,4-5H2

Composition: C (65.85%), H (4.91%), O (29.24%)

Molar Mass: 164.16

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.047344118
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BJXUCBAQZJITKD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.6
Topological Polar Surface Area	35.53
Polarizability	16.55
Ring Count	2
Rotatable Bond Count	1

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