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10031-93-3 | Benzenebutanoic acid, ethyl ester
CAS No: 10031-93-3 Catalog No: AG0001KU MDL No:MFCD00026923
Product Description
Catalog Number:
AG0001KU
Chemical Name:
Benzenebutanoic acid, ethyl ester
CAS Number:
10031-93-3
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00026923
IUPAC Name:
ethyl 4-phenylbutanoate
InChI:
InChI=1S/C12H16O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key:
GGFNXKFGVQQNRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCc1ccccc1
EC Number:
600-062-4
UNII:
BU9R7P5U55
NSC Number:
163318
FEMA Number:
2453
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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