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142038-49-1 | 1-Cyclopentene-1-carboxylic acid, 4-phenyl-
CAS No: 142038-49-1 Catalog No: AG001HLQ MDL No:
Product Description
Catalog Number:
AG001HLQ
Chemical Name:
1-Cyclopentene-1-carboxylic acid, 4-phenyl-
CAS Number:
142038-49-1
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
4-phenylcyclopentene-1-carboxylic acid
InChI:
InChI=1S/C12H12O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,7,10H,6,8H2,(H,13,14)
InChI Key:
RDSQPFKHHCXEMK-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCC(C1)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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