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2173-56-0 | PENTYL VALERATE
CAS No: 2173-56-0 Catalog No: AG003TMD MDL No:MFCD00042904
Product Description
Catalog Number:
AG003TMD
Chemical Name:
PENTYL VALERATE
CAS Number:
2173-56-0
MDL Number:
MFCD00042904
IUPAC Name:
pentyl pentanoate
InChI:
InChI=1S/C10H20O2/c1-3-5-7-9-12-10(11)8-6-4-2/h3-9H2,1-2H3
InChI Key:
FGPPDYNPZTUNIU-UHFFFAOYSA-N
EC Number:
218-528-7
UNII:
694D4BU139
NSC Number:
76414
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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