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29601-69-2 | 2-Propenoic acid, 2-methyl-, 3-(acetyloxy)-2-hydroxypropyl ester
CAS No: 29601-69-2 Catalog No: AG002YV4 MDL No:
Product Description
Catalog Number:
AG002YV4
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-(acetyloxy)-2-hydroxypropyl ester
CAS Number:
29601-69-2
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
IUPAC Name:
(3-acetyloxy-2-hydroxypropyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C9H14O5/c1-6(2)9(12)14-5-8(11)4-13-7(3)10/h8,11H,1,4-5H2,2-3H3
InChI Key:
GGJSOZXRIXSEFY-UHFFFAOYSA-N
SMILES:
OC(COC(=O)C(=C)C)COC(=O)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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