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5-(2,5-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one

5-(2,5-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one

CAS: 1092288-84-0

Formula: C14H16O4

SMILES: COC1=CC(C2CC(O)=CC(=O)C2)=C(OC)C=C1

IUPAC: 5-(2,5-dimethoxyphenyl)-3-hydroxycyclohex-2-en-1-one

InChI: InChI=1/C14H16O4/c1-17-12-3-4-14(18-2)13(8-12)9-5-10(15)7-11(16)6-9/h3-4,7-9,15H,5-6H2,1-2H3

Composition: C (67.73%), H (6.50%), O (25.78%)

Molar Mass: 248.278

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.104858995
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey TXVUAJXITHHWME-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.96
Topological Polar Surface Area 55.76
Polarizability 26.14
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1092288-84-0 $453.39-$1,518.58$453.39$453.39$1,026.95$1,026.95$1,518.58$1,518.58
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