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16048-89-8 | Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-
CAS No: 16048-89-8 Catalog No: AG001RY4 MDL No:MFCD16875410
Product Description
Catalog Number:
AG001RY4
Chemical Name:
Butanedioic acid, 2-hydroxy-3-(1-methylethyl)-
CAS Number:
16048-89-8
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD16875410
IUPAC Name:
2-hydroxy-3-propan-2-ylbutanedioic acid
InChI:
InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)
InChI Key:
RNQHMTFBUSSBJQ-UHFFFAOYSA-N
SMILES:
CC(C(C(C(=O)O)O)C(=O)O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
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