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144331-42-0 | Urea, N-methyl-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)-
CAS No: 144331-42-0 Catalog No: AG001JCK MDL No:
Product Description
Catalog Number:
AG001JCK
Chemical Name:
Urea, N-methyl-N'-(5,6,7,8-tetrahydro-1-naphthalenyl)-
CAS Number:
144331-42-0
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
1-methyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
InChI:
InChI=1S/C12H16N2O/c1-13-12(15)14-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H2,13,14,15)
InChI Key:
SFQCROYYBGXLQC-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1cccc2c1CCCC2
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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