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1804-28-0 | Cyclopropanecarboxylic acid, 1-[(4-methylphenyl)methyl]-
CAS No: 1804-28-0 Catalog No: AG0021Z3 MDL No:
Product Description
Catalog Number:
AG0021Z3
Chemical Name:
Cyclopropanecarboxylic acid, 1-[(4-methylphenyl)methyl]-
CAS Number:
1804-28-0
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H14O2/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H,13,14)
InChI Key:
HJWBQCOOUNIZPR-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CC1)Cc1ccc(cc1)C
EC Number:
217-294-3
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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