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Home > Aldehydes > 1856642-55-1
1856642-55-1 | 4-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS No: 1856642-55-1 Catalog No: AG01C8TD MDL No:MFCD31443255
Product Description
Catalog Number:
AG01C8TD
Chemical Name:
4-(3-hydroxyazetidin-1-yl)benzaldehyde
CAS Number:
1856642-55-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD31443255
IUPAC Name:
4-(3-hydroxyazetidin-1-yl)benzaldehyde
InChI:
InChI=1S/C10H11NO2/c12-7-8-1-3-9(4-2-8)11-5-10(13)6-11/h1-4,7,10,13H,5-6H2
InChI Key:
VJCMRMQZSVIKNH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CC(C1)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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