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13195-64-7 | Propanedioic acid, 1,3-bis(1-methylethyl) ester
CAS No: 13195-64-7 Catalog No: AG000ZZ9 MDL No:MFCD00059359
Product Description
Catalog Number:
AG000ZZ9
Chemical Name:
Propanedioic acid, 1,3-bis(1-methylethyl) ester
CAS Number:
13195-64-7
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00059359
IUPAC Name:
dipropan-2-yl propanedioate
InChI:
InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
InChI Key:
QRVSDVDFJFKYKA-UHFFFAOYSA-N
SMILES:
CC(OC(=O)CC(=O)OC(C)C)C
EC Number:
236-156-3
NSC Number:
406716
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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