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141102-12-7 | Benzenepentanoic acid, 3-(3-carboxypropyl)-4-hydroxy-
CAS No: 141102-12-7 Catalog No: AG001FWM MDL No:
Product Description
Catalog Number:
AG001FWM
Chemical Name:
Benzenepentanoic acid, 3-(3-carboxypropyl)-4-hydroxy-
CAS Number:
141102-12-7
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
IUPAC Name:
5-[3-(3-carboxypropyl)-4-hydroxyphenyl]pentanoic acid
InChI:
InChI=1S/C15H20O5/c16-13-9-8-11(4-1-2-6-14(17)18)10-12(13)5-3-7-15(19)20/h8-10,16H,1-7H2,(H,17,18)(H,19,20)
InChI Key:
BLKOUOFLLRAWLI-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCc1ccc(c(c1)CCCC(=O)O)O
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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