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100963-92-6 | Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)-
CAS No: 100963-92-6 Catalog No: AG0003C8 MDL No:
Product Description
Catalog Number:
AG0003C8
Chemical Name:
Phenol, 4-(methoxymethyl)-2,6-bis(1-methylethyl)-
CAS Number:
100963-92-6
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
4-(methoxymethyl)-2,6-di(propan-2-yl)phenol
InChI:
InChI=1S/C14H22O2/c1-9(2)12-6-11(8-16-5)7-13(10(3)4)14(12)15/h6-7,9-10,15H,8H2,1-5H3
InChI Key:
MFCLYZSYMMDQRI-UHFFFAOYSA-N
SMILES:
COCc1cc(C(C)C)c(c(c1)C(C)C)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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