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72487-17-3 | Butanoic acid, 2-methyl-, 1-methylethyl ester, (2S)-
CAS No: 72487-17-3 Catalog No: AG005H12 MDL No:
Product Description
Catalog Number:
AG005H12
Chemical Name:
Butanoic acid, 2-methyl-, 1-methylethyl ester, (2S)-
CAS Number:
72487-17-3
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
propan-2-yl (2S)-2-methylbutanoate
InChI:
InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3/t7-/m0/s1
InChI Key:
DIRDKDDFAMNBNY-ZETCQYMHSA-N
SMILES:
CC[C@@H](C(=O)OC(C)C)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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