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137124-87-9

137124-87-9 | Cyclopenta[b]pyran, 4-ethoxy-2-(1-ethoxycyclopropyl)-5,7-diphenyl-

CAS No: 137124-87-9 Catalog No: AG0012UT MDL No:

Product Description

Catalog Number:
AG0012UT
Chemical Name:
Cyclopenta[b]pyran, 4-ethoxy-2-(1-ethoxycyclopropyl)-5,7-diphenyl-
CAS Number:
137124-87-9
Molecular Formula:
C27H26O3
Molecular Weight:
398.4935
IUPAC Name:
4-ethoxy-2-(1-ethoxycyclopropyl)-5,7-diphenylcyclopenta[b]pyran
InChI:
InChI=1S/C27H26O3/c1-3-28-23-18-24(27(15-16-27)29-4-2)30-26-22(20-13-9-6-10-14-20)17-21(25(23)26)19-11-7-5-8-12-19/h5-14,17-18H,3-4,15-16H2,1-2H3
InChI Key:
MCWCEWQXNGZQGL-UHFFFAOYSA-N
SMILES:
CCOC1(CC1)c1cc(OCC)c2c(o1)c(cc2c1ccccc1)c1ccccc1

Properties

Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.188g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.502g/mol
Monoisotopic Mass:
398.188g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  

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