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10361-39-4 | Benzyl valerate
CAS No: 10361-39-4 Catalog No: AG0038CT MDL No:
Product Description
Catalog Number:
AG0038CT
Chemical Name:
Benzyl valerate
CAS Number:
10361-39-4
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
benzyl pentanoate
InChI:
InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key:
YZJCDVRXBOPXSQ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OCc1ccccc1
EC Number:
233-789-7
UNII:
0195831F8E
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:
3.4
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