2H-1,3-benzodioxole-4-carbaldehyde

2H-1,3-benzodioxole-4-carbaldehyde

CAS: 7797-83-3

Formula: C8H6O3

SMILES: O=CC1=CC=CC2=C1OCO2

IUPAC: 2H-1,3-benzodioxole-4-carbaldehyde

InChI: InChI=1S/C8H6O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-4H,5H2

Composition: C (64.00%), H (4.03%), O (31.97%)

Molar Mass: 150.133

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	150.031694053
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QZMQKPGVXNSITP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.41
Topological Polar Surface Area	35.53
Polarizability	14.72
Ring Count	2
Rotatable Bond Count	1

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