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1621-32-5 | Cyclopropanecarboxylic acid, 1-[(4-methylphenyl)methyl]-, ethyl ester
CAS No: 1621-32-5 Catalog No: AG001SR7 MDL No:
Product Description
Catalog Number:
AG001SR7
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(4-methylphenyl)methyl]-, ethyl ester
CAS Number:
1621-32-5
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
ethyl 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylate
InChI:
InChI=1S/C14H18O2/c1-3-16-13(15)14(8-9-14)10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3
InChI Key:
CMPPICYVULJWRY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)Cc1ccc(cc1)C
EC Number:
216-593-6
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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