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89161-91-1 | Phenol, 3,3'-methylenebis[2,5-dimethyl-
CAS No: 89161-91-1 Catalog No: AG003WY5 MDL No:
Product Description
Catalog Number:
AG003WY5
Chemical Name:
Phenol, 3,3'-methylenebis[2,5-dimethyl-
CAS Number:
89161-91-1
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
3-[(3-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
InChI:
InChI=1S/C17H20O2/c1-10-5-14(12(3)16(18)7-10)9-15-6-11(2)8-17(19)13(15)4/h5-8,18-19H,9H2,1-4H3
InChI Key:
KGJKZGJELAZHPE-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(C)cc(c2C)O)c(c(c1)O)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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