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138149-51-6 | 2-Propenoic acid, 2-methyl-, 2,3,4-trihydroxybutyl ester
CAS No: 138149-51-6 Catalog No: AG00182O MDL No:
Product Description
Catalog Number:
AG00182O
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,3,4-trihydroxybutyl ester
CAS Number:
138149-51-6
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
IUPAC Name:
2,3,4-trihydroxybutyl 2-methylprop-2-enoate
InChI:
InChI=1S/C8H14O5/c1-5(2)8(12)13-4-7(11)6(10)3-9/h6-7,9-11H,1,3-4H2,2H3
InChI Key:
QVIDBAWQJQHTEJ-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC(C(CO)O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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