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168975-57-3 | 2,3-Butadienoic acid, 4-[1,1'-biphenyl]-4-yl-2-methyl-
CAS No: 168975-57-3 Catalog No: AG001YET MDL No:
Product Description
Catalog Number:
AG001YET
Chemical Name:
2,3-Butadienoic acid, 4-[1,1'-biphenyl]-4-yl-2-methyl-
CAS Number:
168975-57-3
Molecular Formula:
C17H14O2
Molecular Weight:
250.2919
IUPAC Name:
2-methyl-4-(4-phenylphenyl)but-3-enoate
InChI:
InChI=1S/C17H14O2/c1-13(17(18)19)7-8-14-9-11-16(12-10-14)15-5-3-2-4-6-15/h2-12H,1H3
InChI Key:
UHHUGJJZXJVABI-UHFFFAOYSA-N
SMILES:
CC(=C=Cc1ccc(cc1)c1ccccc1)C(=O)O
Properties
Complexity:
302
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:
0
Isotope Atom Count:
0
Molecular Weight:
250.297g/mol
Monoisotopic Mass:
250.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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