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2451-84-5 | Hexanedioic acid, 1,6-bis(phenylmethyl) ester
CAS No: 2451-84-5 Catalog No: AG002ODP MDL No:MFCD00059667
Product Description
Catalog Number:
AG002ODP
Chemical Name:
Hexanedioic acid, 1,6-bis(phenylmethyl) ester
CAS Number:
2451-84-5
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
MDL Number:
MFCD00059667
IUPAC Name:
dibenzyl hexanedioate
InChI:
InChI=1S/C20H22O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChI Key:
AEUORZZHALJMBM-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCCC(=O)OCc1ccccc1
EC Number:
219-516-4
UNII:
X8CKX63ROM
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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