Home Other Building Blocks 3-ANTHRACEN-9-YL-PROPIONIC ACID

3-ANTHRACEN-9-YL-PROPIONIC ACID

CAS No.:
41034-83-7
Catalog Number:
AG00C5CT
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
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Product Description
Catalog Number:
AG00C5CT
Chemical Name:
3-ANTHRACEN-9-YL-PROPIONIC ACID
CAS Number:
41034-83-7
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
MDL Number:
MFCD00068641
IUPAC Name:
3-anthracen-9-ylpropanoic acid
InChI:
InChI=1S/C17H14O2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-8,11H,9-10H2,(H,18,19)
InChI Key:
BDGMYCZUEIGHJH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c2ccccc2cc2c1cccc2
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Polycyclic aromatic hydrocarbon release from a soil matrix in the in vitro gastrointestinal tract. Journal of environmental quality 20040101
Properties