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13831-49-7 | Phenol, 4-methyl-2-(1-methyl-2-buten-1-yl)-
CAS No: 13831-49-7 Catalog No: AG0018IN MDL No:
Product Description
Catalog Number:
AG0018IN
Chemical Name:
Phenol, 4-methyl-2-(1-methyl-2-buten-1-yl)-
CAS Number:
13831-49-7
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
4-methyl-2-pent-3-en-2-ylphenol
InChI:
InChI=1S/C12H16O/c1-4-5-10(3)11-8-9(2)6-7-12(11)13/h4-8,10,13H,1-3H3
InChI Key:
REEVSMMNDPUOFK-UHFFFAOYSA-N
SMILES:
CC=CC(c1cc(C)ccc1O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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