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16102-50-4 | Cyclopropanecarboxylic acid, 2-phenyl-3-(phenylmethylene)- (9CI)
CAS No: 16102-50-4 Catalog No: AG001VLD MDL No:
Product Description
Catalog Number:
AG001VLD
Chemical Name:
Cyclopropanecarboxylic acid, 2-phenyl-3-(phenylmethylene)- (9CI)
CAS Number:
16102-50-4
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
2-benzylidene-3-phenylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C17H14O2/c18-17(19)16-14(11-12-7-3-1-4-8-12)15(16)13-9-5-2-6-10-13/h1-11,15-16H,(H,18,19)
InChI Key:
DDQINRMAUKWYHO-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(=Cc2ccccc2)C1c1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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