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Home > Aldehydes > 207226-32-2
207226-32-2 | Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hydrate (2:1)
CAS No: 207226-32-2 Catalog No: AG002IW6 MDL No:MFCD00008826
Product Description
Catalog Number:
AG002IW6
Chemical Name:
Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, hydrate (2:1)
CAS Number:
207226-32-2
Molecular Formula:
C30H46O5
Molecular Weight:
486.6832
MDL Number:
MFCD00008826
IUPAC Name:
3,5-ditert-butyl-4-hydroxybenzaldehyde;hydrate
InChI:
InChI=1S/C15H22O2.H2O/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6;/h7-9,17H,1-6H3;1H2
InChI Key:
VJKLMLCZIFQQHX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.O=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C.O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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