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159684-77-2 | Phenol, 4-(1,1-dimethoxyethyl)-
CAS No: 159684-77-2 Catalog No: AG001RBI MDL No:
Product Description
Catalog Number:
AG001RBI
Chemical Name:
Phenol, 4-(1,1-dimethoxyethyl)-
CAS Number:
159684-77-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
4-(1,1-dimethoxyethyl)phenol
InChI:
InChI=1S/C10H14O3/c1-10(12-2,13-3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChI Key:
IRMHZRPFNIMTGA-UHFFFAOYSA-N
SMILES:
COC(c1ccc(cc1)O)(OC)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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