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162222-13-1

162222-13-1 | Carbonic acid, phenylmethyl 3-phenylpropyl ester (9CI)

CAS No: 162222-13-1 Catalog No: AG001SW9 MDL No:

Product Description

Catalog Number:
AG001SW9
Chemical Name:
Carbonic acid, phenylmethyl 3-phenylpropyl ester (9CI)
CAS Number:
162222-13-1
Molecular Formula:
C17H18O3
Molecular Weight:
270.3230
IUPAC Name:
benzyl 3-phenylpropyl carbonate
InChI:
InChI=1S/C17H18O3/c18-17(20-14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChI Key:
RIXZUSYXPCAFIF-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)OCCCc1ccccc1

Properties

Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.126g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.328g/mol
Monoisotopic Mass:
270.126g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

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