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890098-58-5 | 2-ACETOXY-4'-PENTYLOXYBENZOPHENONE
CAS No: 890098-58-5 Catalog No: AG00444T MDL No:
Product Description
Catalog Number:
AG00444T
Chemical Name:
2-ACETOXY-4'-PENTYLOXYBENZOPHENONE
CAS Number:
890098-58-5
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
IUPAC Name:
[2-(4-pentoxybenzoyl)phenyl] acetate
InChI:
InChI=1S/C20H22O4/c1-3-4-7-14-23-17-12-10-16(11-13-17)20(22)18-8-5-6-9-19(18)24-15(2)21/h5-6,8-13H,3-4,7,14H2,1-2H3
InChI Key:
VMXPJZZJCDKLGE-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1ccccc1OC(=O)C
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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