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94004-12-3

94004-12-3 | 1,2-dimethyl-3-(1-phenylethenyl)-1h-indole

CAS No: 94004-12-3 Catalog No: AG006TA2 MDL No:

Product Description

Catalog Number:
AG006TA2
Chemical Name:
1,2-dimethyl-3-(1-phenylethenyl)-1h-indole
CAS Number:
94004-12-3
Molecular Formula:
C18H17N
Molecular Weight:
247.3343
IUPAC Name:
1,2-dimethyl-3-(1-phenylethenyl)indole
InChI:
InChI=1S/C18H17N/c1-13(15-9-5-4-6-10-15)18-14(2)19(3)17-12-8-7-11-16(17)18/h4-12H,1H2,2-3H3
InChI Key:
CTPVRQNQBASQOF-UHFFFAOYSA-N
SMILES:
C=C(c1c2ccccc2n(c1C)C)c1ccccc1
NSC Number:
79237

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.136g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.341g/mol
Monoisotopic Mass:
247.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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