200,000+ products from a single source!
sales@angenechem.com
13156-11-1 | 3-Furancarboxylic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
CAS No: 13156-11-1 Catalog No: AG000ZFL MDL No:MFCD00995668
Product Description
Catalog Number:
AG000ZFL
Chemical Name:
3-Furancarboxylic acid, 2,5-dihydro-4,5,5-trimethyl-2-oxo-
CAS Number:
13156-11-1
Molecular Formula:
C8H10O4
Molecular Weight:
170.1626
MDL Number:
MFCD00995668
IUPAC Name:
4,5,5-trimethyl-2-oxofuran-3-carboxylic acid
InChI:
InChI=1S/C8H10O4/c1-4-5(6(9)10)7(11)12-8(4,2)3/h1-3H3,(H,9,10)
InChI Key:
WDBWMWDAYBDTOO-UHFFFAOYSA-N
SMILES:
OC(=O)C1=C(C)C(OC1=O)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.164g/mol
Monoisotopic Mass:
170.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.