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113592-40-8 | Butanedioic acid, 2-methylene-, 4-(1,1-dimethylethyl) 1-methyl ester
CAS No: 113592-40-8 Catalog No: AG00093M MDL No:
Product Description
Catalog Number:
AG00093M
Chemical Name:
Butanedioic acid, 2-methylene-, 4-(1,1-dimethylethyl) 1-methyl ester
CAS Number:
113592-40-8
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
4-O-tert-butyl 1-O-methyl 2-methylidenebutanedioate
InChI:
InChI=1S/C10H16O4/c1-7(9(12)13-5)6-8(11)14-10(2,3)4/h1,6H2,2-5H3
InChI Key:
PFUZNSARSGOCHF-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)CC(=O)OC(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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