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24793-83-7 | 1,3-Propanediol, 1-(4-methoxyphenyl)-2,2-dimethyl-
CAS No: 24793-83-7 Catalog No: AG002PGA MDL No:
Product Description
Catalog Number:
AG002PGA
Chemical Name:
1,3-Propanediol, 1-(4-methoxyphenyl)-2,2-dimethyl-
CAS Number:
24793-83-7
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-(4-methoxyphenyl)-2,2-dimethylpropane-1,3-diol
InChI:
InChI=1S/C12H18O3/c1-12(2,8-13)11(14)9-4-6-10(15-3)7-5-9/h4-7,11,13-14H,8H2,1-3H3
InChI Key:
OOOBGQWSBZYULR-UHFFFAOYSA-N
SMILES:
OCC(C(c1ccc(cc1)OC)O)(C)C
NSC Number:
71594
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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