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909564-90-5 | 5-Hexen-2-one, 1-diazo-1-(1-naphthalenylsulfonyl)-
CAS No: 909564-90-5 Catalog No: AG006GA2 MDL No:
Product Description
Catalog Number:
AG006GA2
Chemical Name:
5-Hexen-2-one, 1-diazo-1-(1-naphthalenylsulfonyl)-
CAS Number:
909564-90-5
Molecular Formula:
C16H14N2O3S
Molecular Weight:
314.3590
IUPAC Name:
1-diazo-1-naphthalen-1-ylsulfonylhex-5-en-2-one
InChI:
InChI=1S/C16H14N2O3S/c1-2-3-10-14(19)16(18-17)22(20,21)15-11-6-8-12-7-4-5-9-13(12)15/h2,4-9,11H,1,3,10H2
InChI Key:
YSMTXSXQNOTLAX-UHFFFAOYSA-N
SMILES:
C=CCCC(=O)C(=[N+]=[N-])S(=O)(=O)c1cccc2c1cccc2
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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