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13221-24-4 | 1,7-Heptanedione, 1,7-bis(2-hydroxy-p-tolyl)- (7CI,8CI)
CAS No: 13221-24-4 Catalog No: AG0010E0 MDL No:
Product Description
Catalog Number:
AG0010E0
Chemical Name:
1,7-Heptanedione, 1,7-bis(2-hydroxy-p-tolyl)- (7CI,8CI)
CAS Number:
13221-24-4
Molecular Formula:
C21H24O4
Molecular Weight:
340.4129
IUPAC Name:
1,7-bis(2-hydroxy-4-methylphenyl)heptane-1,7-dione
InChI:
InChI=1S/C21H24O4/c1-14-8-10-16(20(24)12-14)18(22)6-4-3-5-7-19(23)17-11-9-15(2)13-21(17)25/h8-13,24-25H,3-7H2,1-2H3
InChI Key:
GKFCLFVPQSLEPA-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)O)C)CCCCCC(=O)c1ccc(c(c1)O)C
NSC Number:
139205
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.419g/mol
Monoisotopic Mass:
340.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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