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182922-18-5 | Benzoic acid, 4-[[6-(3-chloro-1-oxopropoxy)hexyl]oxy]-
CAS No: 182922-18-5 Catalog No: AG00249B MDL No:
Product Description
Catalog Number:
AG00249B
Chemical Name:
Benzoic acid, 4-[[6-(3-chloro-1-oxopropoxy)hexyl]oxy]-
CAS Number:
182922-18-5
Molecular Formula:
C16H21ClO5
Molecular Weight:
328.7879
IUPAC Name:
4-[6-(3-chloropropanoyloxy)hexoxy]benzoic acid
InChI:
InChI=1S/C16H21ClO5/c17-10-9-15(18)22-12-4-2-1-3-11-21-14-7-5-13(6-8-14)16(19)20/h5-8H,1-4,9-12H2,(H,19,20)
InChI Key:
YZNWEIUTUQFLLH-UHFFFAOYSA-N
SMILES:
ClCCC(=O)OCCCCCCOc1ccc(cc1)C(=O)O
EC Number:
605-984-0
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.108g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.789g/mol
Monoisotopic Mass:
328.108g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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