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20099-54-1 | Benzoic acid, 4-(2-oxoacetyl)-
CAS No: 20099-54-1 Catalog No: AG002D46 MDL No:MFCD06208251
Product Description
Catalog Number:
AG002D46
Chemical Name:
Benzoic acid, 4-(2-oxoacetyl)-
CAS Number:
20099-54-1
Molecular Formula:
C9H6O4
Molecular Weight:
178.1415
MDL Number:
MFCD06208251
IUPAC Name:
4-oxaldehydoylbenzoic acid
InChI:
InChI=1S/C9H6O4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-5H,(H,12,13)
InChI Key:
NTJTXGBCDNPQIV-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.027g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.143g/mol
Monoisotopic Mass:
178.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Lipid composition greatly affects the in vitro surface activity of lung surfactant protein mimics. | Colloids and surfaces. B, Biointerfaces 20070515 |
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