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130165-76-3 | Butanedioic acid, 2-(2-methylpropyl)-, 1-methyl ester, (2R)-
CAS No: 130165-76-3 Catalog No: AG000U2G MDL No:MFCD01091032
Product Description
Catalog Number:
AG000U2G
Chemical Name:
Butanedioic acid, 2-(2-methylpropyl)-, 1-methyl ester, (2R)-
CAS Number:
130165-76-3
Molecular Formula:
C9H15O4-
Molecular Weight:
187.2130
MDL Number:
MFCD01091032
IUPAC Name:
(3R)-3-methoxycarbonyl-5-methylhexanoic acid
InChI:
InChI=1S/C9H16O4/c1-6(2)4-7(5-8(10)11)9(12)13-3/h6-7H,4-5H2,1-3H3,(H,10,11)/t7-/m1/s1
InChI Key:
AJNNFMRCMKGYHA-SSDOTTSWSA-N
SMILES:
COC(=O)[C@@H](CC(=O)[O-])CC(C)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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