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174024-34-1 | 3,5-Nonanediol, 9-(4-hydroxyphenyl)-
CAS No: 174024-34-1 Catalog No: AG001ZEA MDL No:
Product Description
Catalog Number:
AG001ZEA
Chemical Name:
3,5-Nonanediol, 9-(4-hydroxyphenyl)-
CAS Number:
174024-34-1
Molecular Formula:
C15H24O3
Molecular Weight:
252.3493
IUPAC Name:
9-(4-hydroxyphenyl)nonane-3,5-diol
InChI:
InChI=1S/C15H24O3/c1-2-13(16)11-15(18)6-4-3-5-12-7-9-14(17)10-8-12/h7-10,13,15-18H,2-6,11H2,1H3
InChI Key:
IMXNXPSHCIVYEC-UHFFFAOYSA-N
SMILES:
CCC(CC(CCCCc1ccc(cc1)O)O)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.354g/mol
Monoisotopic Mass:
252.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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