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130954-07-3 | Butanedioic acid, 2-(1-cyclohexen-1-ylmethyl)-2-hydroxy-3-oxo-, 1,4-dimethyl ester
CAS No: 130954-07-3 Catalog No: AG000V5G MDL No:
Product Description
Catalog Number:
AG000V5G
Chemical Name:
Butanedioic acid, 2-(1-cyclohexen-1-ylmethyl)-2-hydroxy-3-oxo-, 1,4-dimethyl ester
CAS Number:
130954-07-3
Molecular Formula:
C13H18O6
Molecular Weight:
270.2784
IUPAC Name:
dimethyl 2-(cyclohexen-1-ylmethyl)-2-hydroxy-3-oxobutanedioate
InChI:
InChI=1S/C13H18O6/c1-18-11(15)10(14)13(17,12(16)19-2)8-9-6-4-3-5-7-9/h6,17H,3-5,7-8H2,1-2H3
InChI Key:
FROXHDPGKNSOJS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)C(C(=O)OC)(CC1=CCCCC1)O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.281g/mol
Monoisotopic Mass:
270.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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