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119450-14-5 | Butanedioic acid, 1-hexyl 4-(phenylmethyl) ester
CAS No: 119450-14-5 Catalog No: AG000ISW MDL No:
Product Description
Catalog Number:
AG000ISW
Chemical Name:
Butanedioic acid, 1-hexyl 4-(phenylmethyl) ester
CAS Number:
119450-14-5
Molecular Formula:
C17H24O4
Molecular Weight:
292.3701
IUPAC Name:
4-O-benzyl 1-O-hexyl butanedioate
InChI:
InChI=1S/C17H24O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3
InChI Key:
IROBBPAWTAUBOK-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CCC(=O)OCc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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