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85243-20-5 | Benzene, 1-butoxy-4-(phenylmethyl)-
CAS No: 85243-20-5 Catalog No: AG004PTS MDL No:
Product Description
Catalog Number:
AG004PTS
Chemical Name:
Benzene, 1-butoxy-4-(phenylmethyl)-
CAS Number:
85243-20-5
Molecular Formula:
C17H20O
Molecular Weight:
240.3401
IUPAC Name:
1-benzyl-4-butoxybenzene
InChI:
InChI=1S/C17H20O/c1-2-3-13-18-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3
InChI Key:
CZHQGHDZQXOCIO-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.151g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.346g/mol
Monoisotopic Mass:
240.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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