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13807-95-9 | 1,2-Propanediol, 3-[(4-methoxyphenyl)methoxy]-
CAS No: 13807-95-9 Catalog No: AG0017Y3 MDL No:
Product Description
Catalog Number:
AG0017Y3
Chemical Name:
1,2-Propanediol, 3-[(4-methoxyphenyl)methoxy]-
CAS Number:
13807-95-9
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
3-[(4-methoxyphenyl)methoxy]propane-1,2-diol
InChI:
InChI=1S/C11H16O4/c1-14-11-4-2-9(3-5-11)7-15-8-10(13)6-12/h2-5,10,12-13H,6-8H2,1H3
InChI Key:
MFKMOLJNQHPVHC-UHFFFAOYSA-N
SMILES:
OCC(COCc1ccc(cc1)OC)O
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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