200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115974-96-4
115974-96-4 | Benzoic acid, 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-
CAS No: 115974-96-4 Catalog No: AG000H9A MDL No:
Product Description
Catalog Number:
AG000H9A
Chemical Name:
Benzoic acid, 3-[(1E)-3-methoxy-3-oxo-1-propen-1-yl]-
CAS Number:
115974-96-4
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
3-(3-methoxy-3-oxoprop-1-enyl)benzoic acid
InChI:
InChI=1S/C11H10O4/c1-15-10(12)6-5-8-3-2-4-9(7-8)11(13)14/h2-7H,1H3,(H,13,14)
InChI Key:
DBCJGNBZZNSLSM-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1cccc(c1)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.