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Home > Aldehydes > 129540-45-0
129540-45-0 | 4-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]BENZALDEHYDE
CAS No: 129540-45-0 Catalog No: AG01C8MN MDL No:MFCD14660654
Product Description
Catalog Number:
AG01C8MN
Chemical Name:
4-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]BENZALDEHYDE
CAS Number:
129540-45-0
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD14660654
IUPAC Name:
4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
InChI:
InChI=1S/C12H15NO2/c14-8-10-3-5-11(6-4-10)13-7-1-2-12(13)9-15/h3-6,8,12,15H,1-2,7,9H2
InChI Key:
YMTPYTGZWJSROA-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1ccc(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:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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