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10018-78-7 | Butanedioic acid, 1-cyclohexyl ester
CAS No: 10018-78-7 Catalog No: AG00016D MDL No:
Product Description
Catalog Number:
AG00016D
Chemical Name:
Butanedioic acid, 1-cyclohexyl ester
CAS Number:
10018-78-7
Molecular Formula:
C10H15O4-
Molecular Weight:
199.2237
IUPAC Name:
4-cyclohexyloxy-4-oxobutanoic acid
InChI:
InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChI Key:
CQBVVSONJDUVEJ-UHFFFAOYSA-N
SMILES:
O=C(OC1CCCCC1)CCC(=O)[O-]
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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