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93982-14-0 | NONYLPHENYL HYDROGEN ADIPATE
CAS No: 93982-14-0 Catalog No: AG006A46 MDL No:
Product Description
Catalog Number:
AG006A46
Chemical Name:
NONYLPHENYL HYDROGEN ADIPATE
CAS Number:
93982-14-0
Molecular Formula:
C21H32O4
Molecular Weight:
348.4764
IUPAC Name:
6-(2-nonylphenoxy)-6-oxohexanoic acid
InChI:
InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-13-18-14-9-10-15-19(18)25-21(24)17-12-11-16-20(22)23/h9-10,14-15H,2-8,11-13,16-17H2,1H3,(H,22,23)
InChI Key:
JTGBFUOKEMPUSH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)O
EC Number:
301-205-0
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.483g/mol
Monoisotopic Mass:
348.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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