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1157138-78-7 | 2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CAS No: 1157138-78-7 Catalog No: AG000GRK MDL No:MFCD11937561
Product Description
Catalog Number:
AG000GRK
Chemical Name:
2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CAS Number:
1157138-78-7
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD11937561
IUPAC Name:
2-(2,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H14O4/c1-15-7-3-4-11(16-2)9(5-7)8-6-10(8)12(13)14/h3-5,8,10H,6H2,1-2H3,(H,13,14)
InChI Key:
GACWXAABXADULL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C1CC1C(=O)O)OC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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