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113818-38-5 | Phenol, (2-propenyl)(1,1,3,3-tetramethylbutyl)- (9CI)
CAS No: 113818-38-5 Catalog No: AG0009T2 MDL No:
Product Description
Catalog Number:
AG0009T2
Chemical Name:
Phenol, (2-propenyl)(1,1,3,3-tetramethylbutyl)- (9CI)
CAS Number:
113818-38-5
Molecular Formula:
C17H26O
Molecular Weight:
246.3877
IUPAC Name:
3-prop-2-enyl-2-(2,4,4-trimethylpentan-2-yl)phenol
InChI:
InChI=1S/C17H26O/c1-7-9-13-10-8-11-14(18)15(13)17(5,6)12-16(2,3)4/h7-8,10-11,18H,1,9,12H2,2-6H3
InChI Key:
WRFRBYDKEPHNRY-UHFFFAOYSA-N
SMILES:
C=CCc1cccc(c1C(CC(C)(C)C)(C)C)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.198g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.394g/mol
Monoisotopic Mass:
246.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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