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3-acetylbenzaldehyde

3-acetylbenzaldehyde

CAS: 41908-11-6

Formula: C9H8O2

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

IUPAC: 3-acetylbenzaldehyde

InChI: InChI=1S/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H3

Composition: C (72.96%), H (5.44%), O (21.60%)

Molar Mass: 148.161

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 148.052429498
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QVNFUJVNBRCKNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.04
Topological Polar Surface Area 34.14
Polarizability 15.95
Ring Count 1
Rotatable Bond Count 2

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