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1247800-49-2 | 2-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]BENZALDEHYDE
CAS No: 1247800-49-2 Catalog No: AG01C8JO MDL No:MFCD14660652
Product Description
Catalog Number:
AG01C8JO
Chemical Name:
2-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]BENZALDEHYDE
CAS Number:
1247800-49-2
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD14660652
IUPAC Name:
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzaldehyde
InChI:
InChI=1S/C12H15NO2/c14-8-10-4-1-2-6-12(10)13-7-3-5-11(13)9-15/h1-2,4,6,8,11,15H,3,5,7,9H2
InChI Key:
RUMVCSNXQOUHGO-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1ccccc1C=O
Properties
Complexity:
220
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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