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3-methoxybenzaldehyde

3-methoxybenzaldehyde

CAS: 591-31-1

Formula: C8H8O2

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

IUPAC: 3-methoxybenzaldehyde

InChI: InChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3

Composition: C (70.58%), H (5.92%), O (23.50%)

Molar Mass: 136.15

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 136.052429498
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.11
Topological Polar Surface Area 26.3
Polarizability 14.74
Ring Count 1
Rotatable Bond Count 2

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