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101253-70-7 | Ethanedioic acid, 1,2-bis(3-cyclohexen-1-ylmethyl) ester
CAS No: 101253-70-7 Catalog No: AG00042A MDL No:
Product Description
Catalog Number:
AG00042A
Chemical Name:
Ethanedioic acid, 1,2-bis(3-cyclohexen-1-ylmethyl) ester
CAS Number:
101253-70-7
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
bis(cyclohex-3-en-1-ylmethyl) oxalate
InChI:
InChI=1S/C16H22O4/c17-15(19-11-13-7-3-1-4-8-13)16(18)20-12-14-9-5-2-6-10-14/h1-3,5,13-14H,4,6-12H2
InChI Key:
RYZAXMNSHFIUDO-UHFFFAOYSA-N
SMILES:
O=C(C(=O)OCC1CCC=CC1)OCC1CCC=CC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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