- Product Details
Keywords
- 1,2-Butanedione, 1-phenyl-
- 1-PHENYL-1,2-BUTANEDIONE
- NSC1085
Quick Details
- ProName: 3457-55-4
- CasNo: 3457-55-4
- Molecular Formula: C10H10O2
- Appearance: White powder
- Application: Organic Chemicals
- DeliveryTime: 2 weeks
- PackAge: Bag
- Port: China main port
- ProductionCapacity: 1 Kilogram/Day
- Purity: 99%
- Storage: Room temperature
- Transportation: As per MSDS
- LimitNum: 100 Gram
- Heavy metal: N/A
- Grade: Industrial Grade,Pharma Grade
- Transportation: N/A
Superiority
1,2-Butanedione, 1-phenyl-
[Synonyms]
NSC1085
1-PHENYL-1,2-BUTANEDIONE
3457-55-4
[ Properties Computed from Structure]
Molecular Weight | 162.1852 [g/mol] |
Molecular Formula | C10H10O2 |
XLogP | 1.7 |
H-Bond Donor | 0 |
H-Bond Acceptor | 2 |
Rotatable Bond Count | 3 |
Tautomer Count | 5 |
Exact Mass | 162.06808 |
MonoIsotopic Mass | 162.06808 |
Topological Polar Surface Area | 34.1 |
Heavy Atom Count | 12 |
Formal Charge | 0 |
Complexity | 178 |
Isotope Atom Count | 0 |
Defined Atom StereoCenter Count | 0 |
Undefined Atom StereoCenter Count | 0 |
Defined Bond StereoCenter Count | 0 |
Undefined Bond StereoCenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 1-phenylbutane-1,2-dione
Canonical SMILES: CCC(=O)C(=O)C1=CC=CC=C1
InChI: InChI=1/C10H10O2/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7H,2H2,1H3