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4906-27-8 | butyl 4-butoxybenzoate
CAS No: 4906-27-8 Catalog No: AG006VY2 MDL No:
Product Description
Catalog Number:
AG006VY2
Chemical Name:
butyl 4-butoxybenzoate
CAS Number:
4906-27-8
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
butyl 4-butoxybenzoate
InChI:
InChI=1S/C15H22O3/c1-3-5-11-17-14-9-7-13(8-10-14)15(16)18-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
VZTOPIZKYQFRNC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)OCCCC
NSC Number:
405409
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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