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178113-56-9 | Butanoic acid, 2-hydroxy-3-methyl-, 2-propen-1-yl ester, (2S)-
CAS No: 178113-56-9 Catalog No: AG0025RN MDL No:
Product Description
Catalog Number:
AG0025RN
Chemical Name:
Butanoic acid, 2-hydroxy-3-methyl-, 2-propen-1-yl ester, (2S)-
CAS Number:
178113-56-9
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
prop-2-enyl (2S)-2-hydroxy-3-methylbutanoate
InChI:
InChI=1S/C8H14O3/c1-4-5-11-8(10)7(9)6(2)3/h4,6-7,9H,1,5H2,2-3H3/t7-/m0/s1
InChI Key:
WZIRERWLJONFGM-ZETCQYMHSA-N
SMILES:
C=CCOC(=O)[C@H](C(C)C)O
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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