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20452-78-2 | Benzenepropanol, α-hexyl-
CAS No: 20452-78-2 Catalog No: AG0029KB MDL No:
Product Description
Catalog Number:
AG0029KB
Chemical Name:
Benzenepropanol, α-hexyl-
CAS Number:
20452-78-2
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
1-phenylnonan-3-ol
InChI:
InChI=1S/C15H24O/c1-2-3-4-8-11-15(16)13-12-14-9-6-5-7-10-14/h5-7,9-10,15-16H,2-4,8,11-13H2,1H3
InChI Key:
GWMRZKNAZLBSPR-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCc1ccccc1)O
NSC Number:
152771
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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