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25134-36-5 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monooctyl ester (9CI)
CAS No: 25134-36-5 Catalog No: AG002QL8 MDL No:
Product Description
Catalog Number:
AG002QL8
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monooctyl ester (9CI)
CAS Number:
25134-36-5
Molecular Formula:
C14H22O7--
Molecular Weight:
302.3203
IUPAC Name:
2-hydroxy-2-(2-octoxy-2-oxoethyl)butanedioate
InChI:
InChI=1S/C14H24O7/c1-2-3-4-5-6-7-8-21-12(17)10-14(20,13(18)19)9-11(15)16/h20H,2-10H2,1H3,(H,15,16)(H,18,19)/p-2
InChI Key:
ZPRGNTVUTLXHEJ-UHFFFAOYSA-L
SMILES:
CCCCCCCCOC(=O)CC(C(=O)[O-])(CC(=O)[O-])O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.137g/mol
Formal Charge:
-2
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.323g/mol
Monoisotopic Mass:
302.137g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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