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Home > Aldehydes > 128501-84-8
128501-84-8 | Benzaldehyde, 4-methoxy-3-(1-pyrrolidinylmethyl)-
CAS No: 128501-84-8 Catalog No: AG000Y5O MDL No:MFCD01876443
Product Description
Catalog Number:
AG000Y5O
Chemical Name:
Benzaldehyde, 4-methoxy-3-(1-pyrrolidinylmethyl)-
CAS Number:
128501-84-8
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD01876443
IUPAC Name:
4-methoxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C13H17NO2/c1-16-13-5-4-11(10-15)8-12(13)9-14-6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3
InChI Key:
OYSJRUKZNDBZIZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CN1CCCC1)C=O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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