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Home > Aldehydes > 1861680-28-5
1861680-28-5 | 2-(3-hydroxy-3-methylazetidin-1-yl)-5-methylbenzaldehyde
CAS No: 1861680-28-5 Catalog No: AG01C8UP MDL No:MFCD31443296
Product Description
Catalog Number:
AG01C8UP
Chemical Name:
2-(3-hydroxy-3-methylazetidin-1-yl)-5-methylbenzaldehyde
CAS Number:
1861680-28-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443296
IUPAC Name:
2-(3-hydroxy-3-methylazetidin-1-yl)-5-methylbenzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-3-4-11(10(5-9)6-14)13-7-12(2,15)8-13/h3-6,15H,7-8H2,1-2H3
InChI Key:
LVJZZVOEAYSVGG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)ccc1N1CC(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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