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13866-57-4 | 2-Butenoic acid, 4-hydroxy-3-methyl-, methyl ester, (2E)-
CAS No: 13866-57-4 Catalog No: AG0018Z8 MDL No:
Product Description
Catalog Number:
AG0018Z8
Chemical Name:
2-Butenoic acid, 4-hydroxy-3-methyl-, methyl ester, (2E)-
CAS Number:
13866-57-4
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
methyl (E)-4-hydroxy-3-methylbut-2-enoate
InChI:
InChI=1S/C6H10O3/c1-5(4-7)3-6(8)9-2/h3,7H,4H2,1-2H3/b5-3+
InChI Key:
GTSWGSZEDFAGCU-HWKANZROSA-N
SMILES:
COC(=O)/C=C(/CO)\C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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