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7249-95-8 | 1-[1-(hydroxymethyl)cyclohexyl]urea
CAS No: 7249-95-8 Catalog No: AG005GXG MDL No:
Product Description
Catalog Number:
AG005GXG
Chemical Name:
1-[1-(hydroxymethyl)cyclohexyl]urea
CAS Number:
7249-95-8
Molecular Formula:
C8H16N2O2
Molecular Weight:
172.2248
IUPAC Name:
[1-(hydroxymethyl)cyclohexyl]urea
InChI:
InChI=1S/C8H16N2O2/c9-7(12)10-8(6-11)4-2-1-3-5-8/h11H,1-6H2,(H3,9,10,12)
InChI Key:
FPKFKBVQYAJWIG-UHFFFAOYSA-N
SMILES:
OCC1(CCCCC1)NC(=O)N
NSC Number:
41282
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.228g/mol
Monoisotopic Mass:
172.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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