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Home Other Building Blocks ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-aceticaci

((7-oxo-7h-benz(de)anthracen-3-yl)thio)-aceticaci

CAS No.:
69658-13-5
Catalog Number:
AG00FERV
Molecular Formula:
C19H12O3S
Molecular Weight:
320.3618
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$287
- +
5g
1 week
United States
$991
- +
10g
1 week
United States
$1899
- +
25g
1 week
United States
$3769
- +
Product Description
Catalog Number:
AG00FERV
Chemical Name:
((7-oxo-7h-benz(de)anthracen-3-yl)thio)-aceticaci
CAS Number:
69658-13-5
Molecular Formula:
C19H12O3S
Molecular Weight:
320.3618
MDL Number:
MFCD00021096
IUPAC Name:
2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetic acid
InChI:
InChI=1S/C19H12O3S/c20-17(21)10-23-16-9-8-12-11-4-1-2-5-13(11)19(22)15-7-3-6-14(16)18(12)15/h1-9H,10H2,(H,20,21)
InChI Key:
QQRGUQLAJOQLIW-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1ccc2c3c1cccc3C(=O)c1c2cccc1
UNII:
Z3B1NW33UX
NSC Number:
81276
Properties
Complexity:
491  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.051g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.362g/mol
Monoisotopic Mass:
320.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties