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850805-66-2 | 3-Butenoic acid, 2-methyl-2-(1-methylethyl)-, methyl ester, (2S)-
CAS No: 850805-66-2 Catalog No: AG004OOJ MDL No:
Product Description
Catalog Number:
AG004OOJ
Chemical Name:
3-Butenoic acid, 2-methyl-2-(1-methylethyl)-, methyl ester, (2S)-
CAS Number:
850805-66-2
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
methyl (2S)-2-methyl-2-propan-2-ylbut-3-enoate
InChI:
InChI=1S/C9H16O2/c1-6-9(4,7(2)3)8(10)11-5/h6-7H,1H2,2-5H3/t9-/m1/s1
InChI Key:
LVKZCURDWGVUAB-SECBINFHSA-N
SMILES:
COC(=O)[C@@](C(C)C)(C=C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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