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23511-70-8 | Butanoic acid, 2-phenoxyethyl ester
CAS No: 23511-70-8 Catalog No: AG002NIF MDL No:MFCD00233324
Product Description
Catalog Number:
AG002NIF
Chemical Name:
Butanoic acid, 2-phenoxyethyl ester
CAS Number:
23511-70-8
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00233324
IUPAC Name:
2-phenoxyethyl butanoate
InChI:
InChI=1S/C12H16O3/c1-2-6-12(13)15-10-9-14-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
OOZDRLVUFHSKIQ-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCCOc1ccccc1
EC Number:
245-705-6
UNII:
9M1F95E6EN
NSC Number:
403864
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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