200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 210761-80-1
210761-80-1 | 2-Heptenoic acid, 4,5-dimethyl-7-oxo-, methyl ester, (2E,4R,5R)-
CAS No: 210761-80-1 Catalog No: AG002KYI MDL No:
Product Description
Catalog Number:
AG002KYI
Chemical Name:
2-Heptenoic acid, 4,5-dimethyl-7-oxo-, methyl ester, (2E,4R,5R)-
CAS Number:
210761-80-1
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
methyl (4R,5R)-4,5-dimethyl-7-oxohept-2-enoate
InChI:
InChI=1S/C10H16O3/c1-8(9(2)6-7-11)4-5-10(12)13-3/h4-5,7-9H,6H2,1-3H3/t8-,9+/m0/s1
InChI Key:
FBEOBFIDNOQTHL-DTWKUNHWSA-N
SMILES:
C[C@H]([C@@H](CC=O)C)/C=C/C(=O)OC
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.