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2628-87-7 | Pentanedioic acid, 2-phenyl-
CAS No: 2628-87-7 Catalog No: AG002SKT MDL No:MFCD13180447
Product Description
Catalog Number:
AG002SKT
Chemical Name:
Pentanedioic acid, 2-phenyl-
CAS Number:
2628-87-7
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
MDL Number:
MFCD13180447
IUPAC Name:
2-phenylpentanedioic acid
InChI:
InChI=1S/C11H12O4/c12-10(13)7-6-9(11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI Key:
GOEBEEJCYYXSFT-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)CCC(=O)O
NSC Number:
128323
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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