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204637-77-4 | Butanedioic acid, 2-(cyclopentylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
CAS No: 204637-77-4 Catalog No: AG0029MQ MDL No:
Product Description
Catalog Number:
AG0029MQ
Chemical Name:
Butanedioic acid, 2-(cyclopentylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)-
CAS Number:
204637-77-4
Molecular Formula:
C14H23O4-
Molecular Weight:
255.3300
IUPAC Name:
(2R)-2-(cyclopentylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI:
InChI=1S/C14H24O4/c1-14(2,3)18-12(15)9-11(13(16)17)8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChI Key:
XJAASFPIJJMEQF-LLVKDONJSA-N
SMILES:
O=C(OC(C)(C)C)C[C@H](C(=O)[O-])CC1CCCC1
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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