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3195-37-7

3195-37-7 | Diphenyl adipate

CAS No: 3195-37-7 Catalog No: AG0038TH MDL No:

Product Description

Catalog Number:
AG0038TH
Chemical Name:
Diphenyl adipate
CAS Number:
3195-37-7
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
diphenyl hexanedioate
InChI:
InChI=1S/C18H18O4/c19-17(21-15-9-3-1-4-10-15)13-7-8-14-18(20)22-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChI Key:
BDIFKMOUQSYRRD-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)CCCCC(=O)Oc1ccccc1

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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