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89790-09-0 | Formamide, N-[[4-(pentyloxy)phenyl]methyl]-
CAS No: 89790-09-0 Catalog No: AG003YH1 MDL No:
Product Description
Catalog Number:
AG003YH1
Chemical Name:
Formamide, N-[[4-(pentyloxy)phenyl]methyl]-
CAS Number:
89790-09-0
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
N-[(4-pentoxyphenyl)methyl]formamide
InChI:
InChI=1S/C13H19NO2/c1-2-3-4-9-16-13-7-5-12(6-8-13)10-14-11-15/h5-8,11H,2-4,9-10H2,1H3,(H,14,15)
InChI Key:
OPVYMXVIOZZOQQ-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)CNC=O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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