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13756-18-8 | 1,2-Ethanediol, 1-phenyl-, 1,2-dipropanoate
CAS No: 13756-18-8 Catalog No: AG0013JX MDL No:
Product Description
Catalog Number:
AG0013JX
Chemical Name:
1,2-Ethanediol, 1-phenyl-, 1,2-dipropanoate
CAS Number:
13756-18-8
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
(2-phenyl-2-propanoyloxyethyl) propanoate
InChI:
InChI=1S/C14H18O4/c1-3-13(15)17-10-12(18-14(16)4-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChI Key:
XVAFLALVAOXSMJ-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(c1ccccc1)OC(=O)CC
NSC Number:
71619
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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