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3-methyl-3-phenylbutanal

3-methyl-3-phenylbutanal

CAS: 6325-41-3

Formula: C11H14O

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

IUPAC: 3-methyl-3-phenylbutanal

InChI: InChI=1S/C11H14O/c1-11(2,8-9-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

Composition: C (81.44%), H (8.70%), O (9.86%)

Molar Mass: 162.232

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.104465071
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey COUZAGXGXFTWTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.06
Topological Polar Surface Area 17.07
Polarizability 19.63
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 6325-41-3 $1,500.00-$2,400.00$1,500.00$2,400.00
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