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29346-60-9 | Acetaldehyde, 2-(1,3-dihydro-1,3,3-trimethyl-5-nitro-2H-indol-2-ylidene)-
CAS No: 29346-60-9 Catalog No: AG002Y48 MDL No:
Product Description
Catalog Number:
AG002Y48
Chemical Name:
Acetaldehyde, 2-(1,3-dihydro-1,3,3-trimethyl-5-nitro-2H-indol-2-ylidene)-
CAS Number:
29346-60-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
2-(1,3,3-trimethyl-5-nitroindol-2-ylidene)acetaldehyde
InChI:
InChI=1S/C13H14N2O3/c1-13(2)10-8-9(15(17)18)4-5-11(10)14(3)12(13)6-7-16/h4-8H,1-3H3
InChI Key:
VPGMVZJLRMPXBV-UHFFFAOYSA-N
SMILES:
O=CC=C1N(C)c2c(C1(C)C)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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