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261930-06-7 | 1,2-Propanediol, 1-(4-methoxyphenyl)-2-methyl-
CAS No: 261930-06-7 Catalog No: AG002S60 MDL No:
Product Description
Catalog Number:
AG002S60
Chemical Name:
1,2-Propanediol, 1-(4-methoxyphenyl)-2-methyl-
CAS Number:
261930-06-7
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
IUPAC Name:
1-(4-methoxyphenyl)-2-methylpropane-1,2-diol
InChI:
InChI=1S/C11H16O3/c1-11(2,13)10(12)8-4-6-9(14-3)7-5-8/h4-7,10,12-13H,1-3H3
InChI Key:
NEPTUHIWSNKWGB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(O)(C)C)O
Properties
Complexity:
171
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:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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