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145413-09-8 | Phenol, 2-(2-propenyl)-4-(4-propylcyclohexyl)-, trans- (9CI)
CAS No: 145413-09-8 Catalog No: AG001D0S MDL No:
Product Description
Catalog Number:
AG001D0S
Chemical Name:
Phenol, 2-(2-propenyl)-4-(4-propylcyclohexyl)-, trans- (9CI)
CAS Number:
145413-09-8
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
InChI:
InChI=1S/C18H26O/c1-3-5-14-7-9-15(10-8-14)16-11-12-18(19)17(13-16)6-4-2/h4,11-15,19H,2-3,5-10H2,1H3
InChI Key:
MKARXFQFRHRMKB-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(c(c1)CC=C)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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