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138850-32-5 | 4-Heptanone, 1-hydroxy-7-(4-methoxyphenyl)-3-methyl-
CAS No: 138850-32-5 Catalog No: AG0019OW MDL No:
Product Description
Catalog Number:
AG0019OW
Chemical Name:
4-Heptanone, 1-hydroxy-7-(4-methoxyphenyl)-3-methyl-
CAS Number:
138850-32-5
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
1-hydroxy-7-(4-methoxyphenyl)-3-methylheptan-4-one
InChI:
InChI=1S/C15H22O3/c1-12(10-11-16)15(17)5-3-4-13-6-8-14(18-2)9-7-13/h6-9,12,16H,3-5,10-11H2,1-2H3
InChI Key:
BZRZPADRCLYDES-UHFFFAOYSA-N
SMILES:
OCCC(C(=O)CCCc1ccc(cc1)OC)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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