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84823-45-0 | 2-Propenoic acid, 3-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]-, (E)-
CAS No: 84823-45-0 Catalog No: AG004NET MDL No:
Product Description
Catalog Number:
AG004NET
Chemical Name:
2-Propenoic acid, 3-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]-, (E)-
CAS Number:
84823-45-0
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
IUPAC Name:
3-[2-(3-hydroxybutyl)-1,3-dioxolan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C10H16O5/c1-8(11)2-4-10(5-3-9(12)13)14-6-7-15-10/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13)
InChI Key:
ZIUXSKGFYMPORZ-UHFFFAOYSA-N
SMILES:
CC(CCC1(OCCO1)/C=C/C(=O)O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.1
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