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1852548-72-1 | 2-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
CAS No: 1852548-72-1 Catalog No: AG01C8WY MDL No:MFCD31443362
Product Description
Catalog Number:
AG01C8WY
Chemical Name:
2-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
CAS Number:
1852548-72-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443362
IUPAC Name:
2-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-6-13(7-12(9)15)11-5-3-2-4-10(11)8-14/h2-5,8-9,12,15H,6-7H2,1H3
InChI Key:
KTNFIONLTMRNST-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1N1CC(C(C1)C)O
Properties
Complexity:
232
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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