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88039-43-4 | Butanoic acid, 3-hydroxy-2-methylene-, 1-methylethyl ester
CAS No: 88039-43-4 Catalog No: AG004J57 MDL No:
Product Description
Catalog Number:
AG004J57
Chemical Name:
Butanoic acid, 3-hydroxy-2-methylene-, 1-methylethyl ester
CAS Number:
88039-43-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
propan-2-yl 3-hydroxy-2-methylidenebutanoate
InChI:
InChI=1S/C8H14O3/c1-5(2)11-8(10)6(3)7(4)9/h5,7,9H,3H2,1-2,4H3
InChI Key:
GWUOBKPBUCNEHB-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C(=C)C(O)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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