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bis(3,5-di-tert-butyl-4-hydroxybenzaldehyde) hydrate

bis(3,5-di-tert-butyl-4-hydroxybenzaldehyde) hydrate

CAS: 207226-32-2

Formula: C30H46O5

SMILES: O.CC(C)(C)C1=CC(C=O)=CC(=C1O)C(C)(C)C.CC(C)(C)C1=CC(C=O)=CC(=C1O)C(C)(C)C

IUPAC: bis(3,5-di-tert-butyl-4-hydroxybenzaldehyde) hydrate

InChI: InChI=1S/2C15H22O2.H2O/c2*1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h2*7-9,17H,1-6H3;1H2

Composition: C (74.04%), H (9.53%), O (16.44%)

Molar Mass: 486.693

Atom Count: 81

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 486.334524581
Formal Charge 0
FSP3 0.53
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IFSUWDPXRKXDGW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.95
Topological Polar Surface Area 37.3
Polarizability 27.41
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 207226-32-2 $87.98-$224.60$87.98$90.05$120.06$224.60
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 207226-32-2 $21.85-$120.75$21.85$23.00$44.85$120.75
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