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88253-94-5 | Propanedioic acid, butylmethyl-, dimethyl ester
CAS No: 88253-94-5 Catalog No: AG004CGW MDL No:
Product Description
Catalog Number:
AG004CGW
Chemical Name:
Propanedioic acid, butylmethyl-, dimethyl ester
CAS Number:
88253-94-5
Molecular Formula:
C10H18O4
Molecular Weight:
202.2475
IUPAC Name:
dimethyl 2-butyl-2-methylpropanedioate
InChI:
InChI=1S/C10H18O4/c1-5-6-7-10(2,8(11)13-3)9(12)14-4/h5-7H2,1-4H3
InChI Key:
QDQFYIDHQPASKV-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OC)(C(=O)OC)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.25g/mol
Monoisotopic Mass:
202.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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