200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 78114-07-5
78114-07-5 | Benzoic acid, 2,6-diethyl-
CAS No: 78114-07-5 Catalog No: AG0054ZF MDL No:MFCD09260802
Product Description
Catalog Number:
AG0054ZF
Chemical Name:
Benzoic acid, 2,6-diethyl-
CAS Number:
78114-07-5
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD09260802
IUPAC Name:
2,6-diethylbenzoic acid
InChI:
InChI=1S/C11H14O2/c1-3-8-6-5-7-9(4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13)
InChI Key:
NIHOKFPCYMIIGM-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1C(=O)O)CC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.