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3065-51-8 | Nonanoic acid, 2,3-dihydroxypropyl ester
CAS No: 3065-51-8 Catalog No: AG0030R3 MDL No:
Product Description
Catalog Number:
AG0030R3
Chemical Name:
Nonanoic acid, 2,3-dihydroxypropyl ester
CAS Number:
3065-51-8
Molecular Formula:
C12H24O4
Molecular Weight:
232.3166
IUPAC Name:
2,3-dihydroxypropyl nonanoate
InChI:
InChI=1S/C12H24O4/c1-2-3-4-5-6-7-8-12(15)16-10-11(14)9-13/h11,13-14H,2-10H2,1H3
InChI Key:
BYPJBHDBVGRMOF-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCC(CO)O
EC Number:
221-315-1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.32g/mol
Monoisotopic Mass:
232.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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