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611168-24-2 | Glycerol phenylbutyrate
CAS No: 611168-24-2 Catalog No: AG003AS3 MDL No:
Product Description
Catalog Number:
AG003AS3
Chemical Name:
Glycerol phenylbutyrate
CAS Number:
611168-24-2
Molecular Formula:
C33H38O6
Molecular Weight:
530.6512
IUPAC Name:
2,3-bis(4-phenylbutanoyloxy)propyl 4-phenylbutanoate
InChI:
InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2
InChI Key:
ZSDBFLMJVAGKOU-UHFFFAOYSA-N
SMILES:
O=C(OC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1)CCCc1ccccc1
UNII:
ZH6F1VCV7B
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.267g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
530.661g/mol
Monoisotopic Mass:
530.267g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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