200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 15112-52-4
15112-52-4 | Propanedioic acid, 2-(1-methylethyl)-, 1-ethyl ester
CAS No: 15112-52-4 Catalog No: AG001N44 MDL No:MFCD20638279
Product Description
Catalog Number:
AG001N44
Chemical Name:
Propanedioic acid, 2-(1-methylethyl)-, 1-ethyl ester
CAS Number:
15112-52-4
Molecular Formula:
C8H13O4-
Molecular Weight:
173.1864
MDL Number:
MFCD20638279
IUPAC Name:
2-ethoxycarbonyl-3-methylbutanoic acid
InChI:
InChI=1S/C8H14O4/c1-4-12-8(11)6(5(2)3)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChI Key:
HIAMVOUYSXARIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)[O-])C(C)C
NSC Number:
157563
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.