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Home > Aldehydes > 1854342-34-9
1854342-34-9 | 4-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
CAS No: 1854342-34-9 Catalog No: AG01C8WZ MDL No:MFCD31443363
Product Description
Catalog Number:
AG01C8WZ
Chemical Name:
4-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
CAS Number:
1854342-34-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443363
IUPAC Name:
4-(3-hydroxy-4-methylpyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-6-13(7-12(9)15)11-4-2-10(8-14)3-5-11/h2-5,8-9,12,15H,6-7H2,1H3
InChI Key:
NMLJBTVMZIMKLQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CC(C(C1)C)O
Properties
Complexity:
224
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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