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122054-55-1 | Benzaldehyde, 5-(1,1-dimethylethyl)-2,3-dihydroxy-
CAS No: 122054-55-1 Catalog No: AG0016OM MDL No:MFCD19288608
Product Description
Catalog Number:
AG0016OM
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2,3-dihydroxy-
CAS Number:
122054-55-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD19288608
IUPAC Name:
5-tert-butyl-2,3-dihydroxybenzaldehyde
InChI:
InChI=1S/C11H14O3/c1-11(2,3)8-4-7(6-12)10(14)9(13)5-8/h4-6,13-14H,1-3H3
InChI Key:
FHJIPNLUGZUVFT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cc(c1O)O)C(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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