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Home > Aldehydes > 1702904-07-1
1702904-07-1 | 2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzaldehyde
CAS No: 1702904-07-1 Catalog No: AG01C8JM MDL No:MFCD31443138
Product Description
Catalog Number:
AG01C8JM
Chemical Name:
2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzaldehyde
CAS Number:
1702904-07-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443138
IUPAC Name:
2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-12(15)6-7-13(9-12)11-5-3-2-4-10(11)8-14/h2-5,8,15H,6-7,9H2,1H3
InChI Key:
WHHXRJUBMRMYSO-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CCC(C1)(C)O
Properties
Complexity:
244
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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