200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 947012-65-9
947012-65-9 | 4-Isopropoxy-3-pyrrolidin-1-ylmethyl-benzaldehyde
CAS No: 947012-65-9 Catalog No: AG01EZK3 MDL No:
Product Description
Catalog Number:
AG01EZK3
Chemical Name:
4-Isopropoxy-3-pyrrolidin-1-ylmethyl-benzaldehyde
CAS Number:
947012-65-9
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
IUPAC Name:
4-propan-2-yloxy-3-(pyrrolidin-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C15H21NO2/c1-12(2)18-15-6-5-13(11-17)9-14(15)10-16-7-3-4-8-16/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3
InChI Key:
KWOPYDHXAZUUOS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)CN1CCCC1)OC(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.