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138298-37-0 | 1,5-Heptanediol, 7-phenyl-, (S)- (9CI)
CAS No: 138298-37-0 Catalog No: AG0018H1 MDL No:
Product Description
Catalog Number:
AG0018H1
Chemical Name:
1,5-Heptanediol, 7-phenyl-, (S)- (9CI)
CAS Number:
138298-37-0
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
IUPAC Name:
7-phenylheptane-1,5-diol
InChI:
InChI=1S/C13H20O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2
InChI Key:
OPIDBHSYOSWJEJ-UHFFFAOYSA-N
SMILES:
OCCCC[C@@H](CCc1ccccc1)O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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