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130223-24-4 | Phenol, 2-butyl-6-methoxy-
CAS No: 130223-24-4 Catalog No: AG000U5X MDL No:
Product Description
Catalog Number:
AG000U5X
Chemical Name:
Phenol, 2-butyl-6-methoxy-
CAS Number:
130223-24-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
2-butyl-6-methoxyphenol
InChI:
InChI=1S/C11H16O2/c1-3-4-6-9-7-5-8-10(13-2)11(9)12/h5,7-8,12H,3-4,6H2,1-2H3
InChI Key:
DJENHUUHOGXXCB-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1O)OC
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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