200,000+ products from a single source!
sales@angenechem.com
16850-87-6 | 2H-1-Benzopyran-6-acetic acid, 2,2-dimethyl-
CAS No: 16850-87-6 Catalog No: AG001Y40 MDL No:MFCD16090007
Product Description
Catalog Number:
AG001Y40
Chemical Name:
2H-1-Benzopyran-6-acetic acid, 2,2-dimethyl-
CAS Number:
16850-87-6
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD16090007
IUPAC Name:
2-(2,2-dimethylchromen-6-yl)acetic acid
InChI:
InChI=1S/C13H14O3/c1-13(2)6-5-10-7-9(8-12(14)15)3-4-11(10)16-13/h3-7H,8H2,1-2H3,(H,14,15)
InChI Key:
QJMKAHDCRKUMCK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)C=CC(O2)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.