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148438-02-2 | Benzoic acid, 3-cyclopropyl-, methyl ester
CAS No: 148438-02-2 Catalog No: AG001KXS MDL No:MFCD06802403
Product Description
Catalog Number:
AG001KXS
Chemical Name:
Benzoic acid, 3-cyclopropyl-, methyl ester
CAS Number:
148438-02-2
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD06802403
IUPAC Name:
methyl 3-cyclopropylbenzoate
InChI:
InChI=1S/C11H12O2/c1-13-11(12)10-4-2-3-9(7-10)8-5-6-8/h2-4,7-8H,5-6H2,1H3
InChI Key:
RMRWUOLENFUPHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C1CC1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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