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89359-11-5 | Butanedioic acid, (1,1-dimethylethyl)-, (S)-
CAS No: 89359-11-5 Catalog No: AG003YXF MDL No:
Product Description
Catalog Number:
AG003YXF
Chemical Name:
Butanedioic acid, (1,1-dimethylethyl)-, (S)-
CAS Number:
89359-11-5
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
2-tert-butylbutanedioic acid
InChI:
InChI=1S/C8H14O4/c1-8(2,3)5(7(11)12)4-6(9)10/h5H,4H2,1-3H3,(H,9,10)(H,11,12)
InChI Key:
YWCIQVCLMJYZBD-UHFFFAOYSA-N
SMILES:
OC(=O)C[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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