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89445-56-7 | Heptanedioic acid, 2-[(4-fluorophenyl)methyl]-
CAS No: 89445-56-7 Catalog No: AG0042WP MDL No:
Product Description
Catalog Number:
AG0042WP
Chemical Name:
Heptanedioic acid, 2-[(4-fluorophenyl)methyl]-
CAS Number:
89445-56-7
Molecular Formula:
C14H17FO4
Molecular Weight:
268.2808
IUPAC Name:
2-[(4-fluorophenyl)methyl]heptanedioic acid
InChI:
InChI=1S/C14H17FO4/c15-12-7-5-10(6-8-12)9-11(14(18)19)3-1-2-4-13(16)17/h5-8,11H,1-4,9H2,(H,16,17)(H,18,19)
InChI Key:
MYUCWWQKEMHXQV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(C(=O)O)Cc1ccc(cc1)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.284g/mol
Monoisotopic Mass:
268.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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