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102690-46-0 | 2,3-Butadienoic acid, phenyl ester
CAS No: 102690-46-0 Catalog No: AG00084O MDL No:
Product Description
Catalog Number:
AG00084O
Chemical Name:
2,3-Butadienoic acid, phenyl ester
CAS Number:
102690-46-0
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
IUPAC Name:
phenyl buta-2,3-dienoate
InChI:
InChI=1S/C10H8O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-8H,1H2
InChI Key:
CPYBXSHIXXYEPA-UHFFFAOYSA-N
SMILES:
C=C=CC(=O)Oc1ccccc1
Properties
Complexity:
196
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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