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23354-92-9 | 1,4-Benzenedipentanoic acid
CAS No: 23354-92-9 Catalog No: AG002MYE MDL No:
Product Description
Catalog Number:
AG002MYE
Chemical Name:
1,4-Benzenedipentanoic acid
CAS Number:
23354-92-9
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
5-[4-(4-carboxybutyl)phenyl]pentanoic acid
InChI:
InChI=1S/C16H22O4/c17-15(18)7-3-1-5-13-9-11-14(12-10-13)6-2-4-8-16(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)
InChI Key:
WWKYNUZUGJVIAO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(cc1)CCCCC(=O)O
NSC Number:
156901
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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