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20279-38-3 | Butanedioic acid, 1-(1-methylethyl) ester
CAS No: 20279-38-3 Catalog No: AG0028EW MDL No:
Product Description
Catalog Number:
AG0028EW
Chemical Name:
Butanedioic acid, 1-(1-methylethyl) ester
CAS Number:
20279-38-3
Molecular Formula:
C7H11O4-
Molecular Weight:
159.1598
IUPAC Name:
4-oxo-4-propan-2-yloxybutanoic acid
InChI:
InChI=1S/C7H12O4/c1-5(2)11-7(10)4-3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChI Key:
RGMSBDCQLRJNSH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CCC(=O)[O-])C
Properties
Complexity:
151
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:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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