200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 586-42-5
586-42-5 | 3-Acetylbenzoic acid
CAS No: 586-42-5 Catalog No: AG0033KH MDL No:MFCD00045847
Product Description
Catalog Number:
AG0033KH
Chemical Name:
3-Acetylbenzoic acid
CAS Number:
586-42-5
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00045847
IUPAC Name:
3-acetylbenzoic acid
InChI:
InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
CHZPJUSFUDUEMZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)C(=O)O
NSC Number:
2932
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| 3-Acetyl-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20100701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.