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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