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23143-72-8 | Butanedioic acid, 2-propyl-, 1,4-dimethyl ester
CAS No: 23143-72-8 Catalog No: AG002MBQ MDL No:
Product Description
Catalog Number:
AG002MBQ
Chemical Name:
Butanedioic acid, 2-propyl-, 1,4-dimethyl ester
CAS Number:
23143-72-8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
dimethyl 2-propylbutanedioate
InChI:
InChI=1S/C9H16O4/c1-4-5-7(9(11)13-3)6-8(10)12-2/h7H,4-6H2,1-3H3
InChI Key:
LKXFCVUTWDZSFI-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OC)CC(=O)OC
Properties
Complexity:
177
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:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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