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20417-63-4 | Cyclopropanecarboxylic acid, 2-formyl-2-methyl-, ethyl ester
CAS No: 20417-63-4 Catalog No: AG0029BC MDL No:
Product Description
Catalog Number:
AG0029BC
Chemical Name:
Cyclopropanecarboxylic acid, 2-formyl-2-methyl-, ethyl ester
CAS Number:
20417-63-4
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
ethyl 2-formyl-2-methylcyclopropane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-3-11-7(10)6-4-8(6,2)5-9/h5-6H,3-4H2,1-2H3
InChI Key:
SPAASQXKWYFRPE-UHFFFAOYSA-N
SMILES:
CC1(CC1C(=O)OCC)C=O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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