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30784-25-9 | Phenol, 4-(1-ethyl-1-methylpropyl)-
CAS No: 30784-25-9 Catalog No: AG00319U MDL No:
Product Description
Catalog Number:
AG00319U
Chemical Name:
Phenol, 4-(1-ethyl-1-methylpropyl)-
CAS Number:
30784-25-9
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
4-(3-methylpentan-3-yl)phenol
InChI:
InChI=1S/C12H18O/c1-4-12(3,5-2)10-6-8-11(13)9-7-10/h6-9,13H,4-5H2,1-3H3
InChI Key:
LCAGTPWNYABUMB-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)O)(CC)C
NSC Number:
11278
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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