200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 827043-82-3
827043-82-3 | 2-Butenoic acid, 2-methyl-, 2-ethylhexyl ester, (2E)-
CAS No: 827043-82-3 Catalog No: AG0050TH MDL No:
Product Description
Catalog Number:
AG0050TH
Chemical Name:
2-Butenoic acid, 2-methyl-, 2-ethylhexyl ester, (2E)-
CAS Number:
827043-82-3
Molecular Formula:
C13H24O2
Molecular Weight:
212.3285
IUPAC Name:
2-ethylhexyl 2-methylbut-2-enoate
InChI:
InChI=1S/C13H24O2/c1-5-8-9-12(7-3)10-15-13(14)11(4)6-2/h6,12H,5,7-10H2,1-4H3
InChI Key:
YPTSTQRAVNJEBS-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)/C(=C/C)/C)CC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.333g/mol
Monoisotopic Mass:
212.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.