Home Carboxys Cyclopropanecarboxylic acid, 1-[3-(hydroxymethyl)phenyl]-, methyl ester

Cyclopropanecarboxylic acid, 1-[3-(hydroxymethyl)phenyl]-, methyl ester

CAS No.:
1630906-31-8
Catalog Number:
AG001TPJ
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
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Product Description
Catalog Number:
AG001TPJ
Chemical Name:
Cyclopropanecarboxylic acid, 1-[3-(hydroxymethyl)phenyl]-, methyl ester
CAS Number:
1630906-31-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD28166361
IUPAC Name:
methyl 1-[3-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
InChI:
InChI=1S/C12H14O3/c1-15-11(14)12(5-6-12)10-4-2-3-9(7-10)8-13/h2-4,7,13H,5-6,8H2,1H3
InChI Key:
LTLGOSZEOVNTPP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)c1cccc(c1)CO
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties