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88293-59-8 | Propanedioic acid, butylmethyl-, monoethyl ester, (S)-
CAS No: 88293-59-8 Catalog No: AG0049O0 MDL No:
Product Description
Catalog Number:
AG0049O0
Chemical Name:
Propanedioic acid, butylmethyl-, monoethyl ester, (S)-
CAS Number:
88293-59-8
Molecular Formula:
C10H17O4-
Molecular Weight:
201.2396
IUPAC Name:
(2S)-2-ethoxycarbonyl-2-methylhexanoate
InChI:
InChI=1S/C10H18O4/c1-4-6-7-10(3,8(11)12)9(13)14-5-2/h4-7H2,1-3H3,(H,11,12)/p-1/t10-/m0/s1
InChI Key:
JXUHFNVEYOWULB-JTQLQIEISA-M
SMILES:
CCCC[C@](C(=O)OCC)(C(=O)[O-])C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.113g/mol
Formal Charge:
-1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.242g/mol
Monoisotopic Mass:
201.113g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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