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4-formylphenyl 2-methylpropanoate

4-formylphenyl 2-methylpropanoate

CAS: 120464-79-1

Formula: C11H12O3

SMILES: CC(C)C(=O)OC1=CC=C(C=O)C=C1

IUPAC: 4-formylphenyl 2-methylpropanoate

InChI: InChI=1S/C11H12O3/c1-8(2)11(13)14-10-5-3-9(7-12)4-6-10/h3-8H,1-2H3

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.078644246
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OMUMEEXBNHJTLD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.98
Topological Polar Surface Area 43.37
Polarizability 20.33
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 120464-79-1 $500.00-$3,630.00$500.00$1,700.00$3,630.00
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