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13335-59-6 | Benzenebutanol, 4-hydroxy-2-methoxy-
CAS No: 13335-59-6 Catalog No: AG0014PZ MDL No:
Product Description
Catalog Number:
AG0014PZ
Chemical Name:
Benzenebutanol, 4-hydroxy-2-methoxy-
CAS Number:
13335-59-6
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
4-(4-hydroxybutyl)-3-methoxyphenol
InChI:
InChI=1S/C11H16O3/c1-14-11-8-10(13)6-5-9(11)4-2-3-7-12/h5-6,8,12-13H,2-4,7H2,1H3
InChI Key:
VBXMTRSRPZRSHN-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1OC)O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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