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Home > Other Heterocycles > 845744-50-5
845744-50-5 | 3-Butenoic acid, 4-bicyclo[4.2.0]octa-1,3,5-trien-3-yl-
CAS No: 845744-50-5 Catalog No: AG004UO8 MDL No:
Product Description
Catalog Number:
AG004UO8
Chemical Name:
3-Butenoic acid, 4-bicyclo[4.2.0]octa-1,3,5-trien-3-yl-
CAS Number:
845744-50-5
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)but-3-enoic acid
InChI:
InChI=1S/C12H12O2/c13-12(14)3-1-2-9-4-5-10-6-7-11(10)8-9/h1-2,4-5,8H,3,6-7H2,(H,13,14)
InChI Key:
HMPUKWKPVTWTIA-UHFFFAOYSA-N
SMILES:
OC(=O)CC=Cc1ccc2c(c1)CC2
Properties
Complexity:
245
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:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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