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1858653-51-6 | 4-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbenzaldehyde
CAS No: 1858653-51-6 Catalog No: AG01C8UQ MDL No:MFCD31443297
Product Description
Catalog Number:
AG01C8UQ
Chemical Name:
4-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbenzaldehyde
CAS Number:
1858653-51-6
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443297
IUPAC Name:
4-(3-hydroxy-3-methylazetidin-1-yl)-3-methylbenzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-5-10(6-14)3-4-11(9)13-7-12(2,15)8-13/h3-6,15H,7-8H2,1-2H3
InChI Key:
UCAGBZRAMUTKGI-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C)N1CC(C1)(C)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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