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820247-81-2 | 1,4-Pentanediol, 1-(4-methoxyphenyl)-
CAS No: 820247-81-2 Catalog No: AG004Y5Q MDL No:
Product Description
Catalog Number:
AG004Y5Q
Chemical Name:
1,4-Pentanediol, 1-(4-methoxyphenyl)-
CAS Number:
820247-81-2
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-(4-methoxyphenyl)pentane-1,4-diol
InChI:
InChI=1S/C12H18O3/c1-9(13)3-8-12(14)10-4-6-11(15-2)7-5-10/h4-7,9,12-14H,3,8H2,1-2H3
InChI Key:
QVCJXFNJIGWXCF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(CCC(O)C)O
Properties
Complexity:
164
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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