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136966-94-4 | 2-Propenamide, N-decyl-3-[3,4-bis(phenylmethoxy)phenoxy]-, (E)- (9CI)
CAS No: 136966-94-4 Catalog No: AG0012MF MDL No:
Product Description
Catalog Number:
AG0012MF
Chemical Name:
2-Propenamide, N-decyl-3-[3,4-bis(phenylmethoxy)phenoxy]-, (E)- (9CI)
CAS Number:
136966-94-4
Molecular Formula:
C33H41NO4
Molecular Weight:
515.6829
IUPAC Name:
3-[3,4-bis(phenylmethoxy)phenoxy]-N-decylprop-2-enamide
InChI:
InChI=1S/C33H41NO4/c1-2-3-4-5-6-7-8-15-23-34-33(35)22-24-36-30-20-21-31(37-26-28-16-11-9-12-17-28)32(25-30)38-27-29-18-13-10-14-19-29/h9-14,16-22,24-25H,2-8,15,23,26-27H2,1H3,(H,34,35)
InChI Key:
UHJYUISFMQZIQP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCNC(=O)/C=C/Oc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
627
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.304g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
515.694g/mol
Monoisotopic Mass:
515.304g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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