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7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde

7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde

CAS: 1417328

Formula: C9H8O4

SMILES: COC1=CC(C=O)=CC2=C1OCO2

IUPAC: 7-methoxy-2H-1,3-benzodioxole-5-carbaldehyde

InChI: InChI=1S/C9H8O4/c1-11-7-2-6(4-10)3-8-9(7)13-5-12-8/h2-4H,5H2,1H3

Composition: C (60.00%), H (4.48%), O (35.52%)

Molar Mass: 180.159

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 180.042258738
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LOFRBHZYZCIOJO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.87
Topological Polar Surface Area 44.76
Polarizability 17.27
Ring Count 2
Rotatable Bond Count 2

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