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88253-97-8 | Propanedioic acid, butylmethyl-, monomethyl ester, (S)-
CAS No: 88253-97-8 Catalog No: AG004AXS MDL No:
Product Description
Catalog Number:
AG004AXS
Chemical Name:
Propanedioic acid, butylmethyl-, monomethyl ester, (S)-
CAS Number:
88253-97-8
Molecular Formula:
C9H15O4-
Molecular Weight:
187.2130
IUPAC Name:
(2S)-2-methoxycarbonyl-2-methylhexanoate
InChI:
InChI=1S/C9H16O4/c1-4-5-6-9(2,7(10)11)8(12)13-3/h4-6H2,1-3H3,(H,10,11)/p-1/t9-/m0/s1
InChI Key:
IMRWVSSSILYGAW-VIFPVBQESA-M
SMILES:
CCCC[C@](C(=O)OC)(C(=O)[O-])C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.097g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.215g/mol
Monoisotopic Mass:
187.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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