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18826-56-7 | 2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-
CAS No: 18826-56-7 Catalog No: AG002GSA MDL No:MFCD00461251
Product Description
Catalog Number:
AG002GSA
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2-methyl-3-phenyl-
CAS Number:
18826-56-7
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD00461251
IUPAC Name:
2-methyl-3-phenylcycloprop-2-ene-1-carboxylic acid
InChI:
InChI=1S/C11H10O2/c1-7-9(10(7)11(12)13)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,12,13)
InChI Key:
UDSNAKLSPHPDSX-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(=C1c1ccccc1)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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