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89036-57-7 | 2-Butenedioic acid, mono(2-hydroxydecyl) ester
CAS No: 89036-57-7 Catalog No: AG00424V MDL No:
Product Description
Catalog Number:
AG00424V
Chemical Name:
2-Butenedioic acid, mono(2-hydroxydecyl) ester
CAS Number:
89036-57-7
Molecular Formula:
C14H23O5-
Molecular Weight:
271.3294
IUPAC Name:
4-(2-hydroxydecoxy)-4-oxobut-2-enoate
InChI:
InChI=1S/C14H24O5/c1-2-3-4-5-6-7-8-12(15)11-19-14(18)10-9-13(16)17/h9-10,12,15H,2-8,11H2,1H3,(H,16,17)/p-1
InChI Key:
YSYVXCZXDFUTRN-UHFFFAOYSA-M
SMILES:
CCCCCCCCC(COC(=O)C=CC(=O)[O-])O
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.155g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.333g/mol
Monoisotopic Mass:
271.155g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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