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2082-59-9 | Pentanoic acid, 1,1'-anhydride
CAS No: 2082-59-9 Catalog No: AG002JKN MDL No:MFCD00009477
Product Description
Catalog Number:
AG002JKN
Chemical Name:
Pentanoic acid, 1,1'-anhydride
CAS Number:
2082-59-9
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD00009477
IUPAC Name:
pentanoyl pentanoate
InChI:
InChI=1S/C10H18O3/c1-3-5-7-9(11)13-10(12)8-6-4-2/h3-8H2,1-2H3
InChI Key:
DUCKXCGALKOSJF-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(=O)CCCC
EC Number:
218-212-9
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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