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139758-88-6 | Methanamine, N-(2-ethoxy-3,6-dihydro-1(2H)-azulenylidene)-
CAS No: 139758-88-6 Catalog No: AG001BNL MDL No:
Product Description
Catalog Number:
AG001BNL
Chemical Name:
Methanamine, N-(2-ethoxy-3,6-dihydro-1(2H)-azulenylidene)-
CAS Number:
139758-88-6
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
2-ethoxy-N-methyl-3,6-dihydro-2H-azulen-1-imine
InChI:
InChI=1S/C13H17NO/c1-3-15-12-9-10-7-5-4-6-8-11(10)13(12)14-2/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
VVIZNWUBVWOYGJ-UHFFFAOYSA-N
SMILES:
CCOC1CC2=C(C1=NC)C=CCC=C2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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