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245677-44-5 | Urea, N-[1,1-bis(hydroxymethyl)propyl]-
CAS No: 245677-44-5 Catalog No: AG002OKP MDL No:
Product Description
Catalog Number:
AG002OKP
Chemical Name:
Urea, N-[1,1-bis(hydroxymethyl)propyl]-
CAS Number:
245677-44-5
Molecular Formula:
C6H14N2O3
Molecular Weight:
162.1870
IUPAC Name:
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]urea
InChI:
InChI=1S/C6H14N2O3/c1-2-6(3-9,4-10)8-5(7)11/h9-10H,2-4H2,1H3,(H3,7,8,11)
InChI Key:
UZLFRKMTMKXDPA-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)N)(CO)CO
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
162.189g/mol
Monoisotopic Mass:
162.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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