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100144-93-2 | Glycolic acid, dicyclopropyl-, methyl ester (6CI)
CAS No: 100144-93-2 Catalog No: AG00013J MDL No:
Product Description
Catalog Number:
AG00013J
Chemical Name:
Glycolic acid, dicyclopropyl-, methyl ester (6CI)
CAS Number:
100144-93-2
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2,2-dicyclopropyl-2-methoxyacetate
InChI:
InChI=1S/C9H14O3/c1-12-9(8(10)11,6-2-3-6)7-4-5-7/h6-7H,2-5H2,1H3,(H,10,11)/p-1
InChI Key:
KFGILKSTYIHLMY-UHFFFAOYSA-M
SMILES:
COC(=O)C(C1CC1)(C1CC1)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.086g/mol
Formal Charge:
-1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.2g/mol
Monoisotopic Mass:
169.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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