200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 202115-60-4
202115-60-4 | Propanedioic acid, [(1R,2E)-1-ethyl-2-pentenyl]-, dimethyl ester (9CI)
CAS No: 202115-60-4 Catalog No: AG00282R MDL No:
Product Description
Catalog Number:
AG00282R
Chemical Name:
Propanedioic acid, [(1R,2E)-1-ethyl-2-pentenyl]-, dimethyl ester (9CI)
CAS Number:
202115-60-4
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
dimethyl 2-[(3R)-hept-4-en-3-yl]propanedioate
InChI:
InChI=1S/C12H20O4/c1-5-7-8-9(6-2)10(11(13)15-3)12(14)16-4/h7-10H,5-6H2,1-4H3/t9-/m1/s1
InChI Key:
ZGYYFVWTPMLVET-SECBINFHSA-N
SMILES:
CC/C=C/[C@H](C(C(=O)OC)C(=O)OC)CC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.