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2360-45-4 | Benzoic acid, 2-(1-oxopropyl)-
CAS No: 2360-45-4 Catalog No: AG002NV2 MDL No:MFCD00053311
Product Description
Catalog Number:
AG002NV2
Chemical Name:
Benzoic acid, 2-(1-oxopropyl)-
CAS Number:
2360-45-4
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00053311
IUPAC Name:
2-propanoylbenzoic acid
InChI:
InChI=1S/C10H10O3/c1-2-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChI Key:
JYBOOAWVGOYQFU-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccccc1C(=O)O
EC Number:
219-106-5
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| A new glycosidic flavonoid from Jwarhar mahakashay (antipyretic) Ayurvedic preparation. | International journal of Ayurveda research 20100101 |
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