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1694765-17-7 | 4-(3-methoxypyrrolidin-1-yl)benzaldehyde
CAS No: 1694765-17-7 Catalog No: AG01C8MJ MDL No:MFCD31443167
Product Description
Catalog Number:
AG01C8MJ
Chemical Name:
4-(3-methoxypyrrolidin-1-yl)benzaldehyde
CAS Number:
1694765-17-7
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD31443167
IUPAC Name:
4-(3-methoxypyrrolidin-1-yl)benzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-15-12-6-7-13(8-12)11-4-2-10(9-14)3-5-11/h2-5,9,12H,6-8H2,1H3
InChI Key:
IIGKEIPBKUUMRK-UHFFFAOYSA-N
SMILES:
COC1CCN(C1)c1ccc(cc1)C=O
Properties
Complexity:
212
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:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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