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36874-95-0 | p-dimethylaminomethylbenzaldehyde
CAS No: 36874-95-0 Catalog No: AG0077OB MDL No:MFCD06800601
Product Description
Catalog Number:
AG0077OB
Chemical Name:
p-dimethylaminomethylbenzaldehyde
CAS Number:
36874-95-0
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
MDL Number:
MFCD06800601
IUPAC Name:
4-[(dimethylamino)methyl]benzaldehyde
InChI:
InChI=1S/C10H13NO/c1-11(2)7-9-3-5-10(8-12)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
HQDFSQZWAINMKA-UHFFFAOYSA-N
SMILES:
CNCC1=CCC(C=C1)(C=O)CNC
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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