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147495-99-6 | Urea, N-[(3,4-dihydro-6-methoxy-2-naphthalenyl)methyl]-N-hydroxy-
CAS No: 147495-99-6 Catalog No: AG001EXX MDL No:
Product Description
Catalog Number:
AG001EXX
Chemical Name:
Urea, N-[(3,4-dihydro-6-methoxy-2-naphthalenyl)methyl]-N-hydroxy-
CAS Number:
147495-99-6
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
1-hydroxy-1-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]urea
InChI:
InChI=1S/C13H16N2O3/c1-18-12-5-4-10-6-9(2-3-11(10)7-12)8-15(17)13(14)16/h4-7,17H,2-3,8H2,1H3,(H2,14,16)
InChI Key:
CTGJXUUSOOOTRZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CCC(=C2)CN(C(=O)N)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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