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141451-12-9 | Carbonic acid, methyl (2,4,6-trimethyl-3-cyclohexen-1-yl)methyl ester
CAS No: 141451-12-9 Catalog No: AG001GEO MDL No:
Product Description
Catalog Number:
AG001GEO
Chemical Name:
Carbonic acid, methyl (2,4,6-trimethyl-3-cyclohexen-1-yl)methyl ester
CAS Number:
141451-12-9
Molecular Formula:
C12H20O3
Molecular Weight:
212.2854
IUPAC Name:
methyl (2,4,6-trimethylcyclohex-3-en-1-yl)methyl carbonate
InChI:
InChI=1S/C12H20O3/c1-8-5-9(2)11(10(3)6-8)7-15-12(13)14-4/h5,9-11H,6-7H2,1-4H3
InChI Key:
UDACLCJJOKUWPD-UHFFFAOYSA-N
SMILES:
COC(=O)OCC1C(C)CC(=CC1C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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