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7504-97-4 | DECYL N-[5-(DECOXYCARBONYLAMINO)-2-METHYL-PHENYL]CARBAMATE
CAS No: 7504-97-4 Catalog No: AG0057AU MDL No:
Product Description
Catalog Number:
AG0057AU
Chemical Name:
DECYL N-[5-(DECOXYCARBONYLAMINO)-2-METHYL-PHENYL]CARBAMATE
CAS Number:
7504-97-4
Molecular Formula:
C29H50N2O4
Molecular Weight:
490.7183
IUPAC Name:
decyl N-[3-(decoxycarbonylamino)-4-methylphenyl]carbamate
InChI:
InChI=1S/C29H50N2O4/c1-4-6-8-10-12-14-16-18-22-34-28(32)30-26-21-20-25(3)27(24-26)31-29(33)35-23-19-17-15-13-11-9-7-5-2/h20-21,24H,4-19,22-23H2,1-3H3,(H,30,32)(H,31,33)
InChI Key:
LMSIVMAYXWIHDZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)Nc1ccc(c(c1)NC(=O)OCCCCCCCCCC)C
NSC Number:
404831
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.377g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
490.729g/mol
Monoisotopic Mass:
490.377g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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