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1343849-29-5 | 4-(3-HYDROXYPYRROLIDIN-1-YL)-2-METHYLBENZALDEHYDE
CAS No: 1343849-29-5 Catalog No: AG01C8LK MDL No:MFCD17249358
Product Description
Catalog Number:
AG01C8LK
Chemical Name:
4-(3-HYDROXYPYRROLIDIN-1-YL)-2-METHYLBENZALDEHYDE
CAS Number:
1343849-29-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD17249358
IUPAC Name:
4-(3-hydroxypyrrolidin-1-yl)-2-methylbenzaldehyde
InChI:
InChI=1S/C12H15NO2/c1-9-6-11(3-2-10(9)8-14)13-5-4-12(15)7-13/h2-3,6,8,12,15H,4-5,7H2,1H3
InChI Key:
QWVSGAROWZTHJS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C)N1CCC(C1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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