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128203-40-7 | Phenol, 2,4-bis(1,1-dimethylethyl)-6-(methoxymethyl)-
CAS No: 128203-40-7 Catalog No: AG000XV6 MDL No:
Product Description
Catalog Number:
AG000XV6
Chemical Name:
Phenol, 2,4-bis(1,1-dimethylethyl)-6-(methoxymethyl)-
CAS Number:
128203-40-7
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
2,4-ditert-butyl-6-(methoxymethyl)phenol
InChI:
InChI=1S/C16H26O2/c1-15(2,3)12-8-11(10-18-7)14(17)13(9-12)16(4,5)6/h8-9,17H,10H2,1-7H3
InChI Key:
CGBAAHJKWUIALT-UHFFFAOYSA-N
SMILES:
COCc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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