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140912-38-5 | 1-Propanone, 2-hydroxy-1-(isocyanatophenyl)-2-methyl- (9CI)
CAS No: 140912-38-5 Catalog No: AG001CZY MDL No:
Product Description
Catalog Number:
AG001CZY
Chemical Name:
1-Propanone, 2-hydroxy-1-(isocyanatophenyl)-2-methyl- (9CI)
CAS Number:
140912-38-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
2-hydroxy-1-(2-isocyanatophenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C11H11NO3/c1-11(2,15)10(14)8-5-3-4-6-9(8)12-7-13/h3-6,15H,1-2H3
InChI Key:
USWBLFCMZDCLPG-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1C(=O)C(O)(C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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