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122-43-0 | Benzeneacetic acid, butyl ester
CAS No: 122-43-0 Catalog No: AG0016JB MDL No:MFCD00048774
Product Description
Catalog Number:
AG0016JB
Chemical Name:
Benzeneacetic acid, butyl ester
CAS Number:
122-43-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00048774
IUPAC Name:
butyl 2-phenylacetate
InChI:
InChI=1S/C12H16O2/c1-2-3-9-14-12(13)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key:
LDOXTQYWWYXYSQ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Cc1ccccc1
EC Number:
204-543-6
UNII:
TR6RZ109SI
FEMA Number:
2209
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:
3.2
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