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119494-25-6 | 9H-Fluorene-2-butanoic acid, 9-diazo-
CAS No: 119494-25-6 Catalog No: AG000IVI MDL No:
Product Description
Catalog Number:
AG000IVI
Chemical Name:
9H-Fluorene-2-butanoic acid, 9-diazo-
CAS Number:
119494-25-6
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
4-(9-diazofluoren-2-yl)butanoic acid
InChI:
InChI=1S/C17H14N2O2/c18-19-17-14-6-2-1-5-12(14)13-9-8-11(10-15(13)17)4-3-7-16(20)21/h1-2,5-6,8-10H,3-4,7H2,(H,20,21)
InChI Key:
TWLXVTRYICAUEC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1c2cc(CCCC(=O)O)ccc2c2c1cccc2
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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