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147328-51-6 | 1(2H)-Naphthalenone, 2-butyl-3,4-dihydro-, (2S)-
CAS No: 147328-51-6 Catalog No: AG001ESQ MDL No:
Product Description
Catalog Number:
AG001ESQ
Chemical Name:
1(2H)-Naphthalenone, 2-butyl-3,4-dihydro-, (2S)-
CAS Number:
147328-51-6
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
(2S)-2-butyl-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C14H18O/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)15/h4-5,7-8,12H,2-3,6,9-10H2,1H3/t12-/m0/s1
InChI Key:
VWNGZXHJXQGXMQ-LBPRGKRZSA-N
SMILES:
CCCC[C@H]1CCc2c(C1=O)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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