200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113495-70-8
113495-70-8 | Propanedioic acid, 2-(2-methyl-2,3-butadien-1-yl)-, 1,3-dimethyl ester
CAS No: 113495-70-8 Catalog No: AG0008RF MDL No:
Product Description
Catalog Number:
AG0008RF
Chemical Name:
Propanedioic acid, 2-(2-methyl-2,3-butadien-1-yl)-, 1,3-dimethyl ester
CAS Number:
113495-70-8
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
dimethyl 2-(2-methylbuta-2,3-dienyl)propanedioate
InChI:
InChI=1S/C10H14O4/c1-5-7(2)6-8(9(11)13-3)10(12)14-4/h8H,1,6H2,2-4H3
InChI Key:
VMYLMHFJPAUCEP-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)OC)CC(=C=C)C
Properties
Complexity:
258
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.