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431041-83-7 | Rink Amide MBHA resin
CAS No: 431041-83-7 Catalog No: AG0039Y1 MDL No:MFCD00165781
Product Description
Catalog Number:
AG0039Y1
Chemical Name:
Rink Amide MBHA resin
CAS Number:
431041-83-7
Molecular Formula:
C47H44N2O6
Molecular Weight:
732.8621
MDL Number:
MFCD00165781
IUPAC Name:
9H-fluoren-9-ylmethyl N-[[4-[2-[bis(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]-(2,4-dimethoxyphenyl)methyl]carbamate
InChI:
InChI=1S/C47H44N2O6/c1-30-13-17-32(18-14-30)45(33-19-15-31(2)16-20-33)48-44(50)29-54-35-23-21-34(22-24-35)46(41-26-25-36(52-3)27-43(41)53-4)49-47(51)55-28-42-39-11-7-5-9-37(39)38-10-6-8-12-40(38)42/h5-27,42,45-46H,28-29H2,1-4H3,(H,48,50)(H,49,51)
InChI Key:
JDDWRLPTKIOUOF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OC)C(c1ccc(cc1)OCC(=O)NC(c1ccc(cc1)C)c1ccc(cc1)C)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
732.32g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
732.877g/mol
Monoisotopic Mass:
732.32g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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