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2338-45-6 | Butanedioic acid, 2-(1-methylethyl)-
CAS No: 2338-45-6 Catalog No: AG002N14 MDL No:
Product Description
Catalog Number:
AG002N14
Chemical Name:
Butanedioic acid, 2-(1-methylethyl)-
CAS Number:
2338-45-6
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
2-propan-2-ylbutanedioic acid
InChI:
InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)
InChI Key:
RKAFKUROUOLPOL-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)C(C)C
NSC Number:
19884
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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