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88302-02-7 | 4,6-Nonanedione, 5-[(dimethylamino)methylene]-
CAS No: 88302-02-7 Catalog No: AG0048QK MDL No:
Product Description
Catalog Number:
AG0048QK
Chemical Name:
4,6-Nonanedione, 5-[(dimethylamino)methylene]-
CAS Number:
88302-02-7
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
5-(dimethylaminomethylidene)nonane-4,6-dione
InChI:
InChI=1S/C12H21NO2/c1-5-7-11(14)10(9-13(3)4)12(15)8-6-2/h9H,5-8H2,1-4H3
InChI Key:
PHUKNCYAHVFLSF-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(=CN(C)C)C(=O)CCC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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