Home Other Building Blocks (2E)-4-phenoxybut-2-enoic acid

(2E)-4-phenoxybut-2-enoic acid

CAS No.:
161446-34-0
Catalog Number:
AG01EM6Z
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
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Product Description
Catalog Number:
AG01EM6Z
Chemical Name:
(2E)-4-phenoxybut-2-enoic acid
CAS Number:
161446-34-0
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD03789613
IUPAC Name:
(E)-4-phenoxybut-2-enoic acid
InChI:
InChI=1S/C10H10O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)/b7-4+
InChI Key:
ZOIZRXWCNRPRJL-QPJJXVBHSA-N
SMILES:
OC(=O)/C=C/COc1ccccc1
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties