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25974-58-7 | Phenol, 4-methoxy-2-(3-methyl-2-buten-1-yl)-
CAS No: 25974-58-7 Catalog No: AG002R9D MDL No:
Product Description
Catalog Number:
AG002R9D
Chemical Name:
Phenol, 4-methoxy-2-(3-methyl-2-buten-1-yl)-
CAS Number:
25974-58-7
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
4-methoxy-2-(3-methylbut-2-enyl)phenol
InChI:
InChI=1S/C12H16O2/c1-9(2)4-5-10-8-11(14-3)6-7-12(10)13/h4,6-8,13H,5H2,1-3H3
InChI Key:
GKAOOQRLNNPWFH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CC=C(C)C)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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