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85872-85-1 | Benzaldehyde, 4-(4-methyl-1-piperidinyl)-
CAS No: 85872-85-1 Catalog No: AG004R3Y MDL No:MFCD04971034
Product Description
Catalog Number:
AG004R3Y
Chemical Name:
Benzaldehyde, 4-(4-methyl-1-piperidinyl)-
CAS Number:
85872-85-1
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
MDL Number:
MFCD04971034
IUPAC Name:
4-(4-methylpiperidin-1-yl)benzaldehyde
InChI:
InChI=1S/C13H17NO/c1-11-6-8-14(9-7-11)13-4-2-12(10-15)3-5-13/h2-5,10-11H,6-9H2,1H3
InChI Key:
HRKZATGTUGYPBO-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCC(CC1)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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