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10080-68-9,MFCD10566331
Catalog No.:AA0002U8
10080-68-9 | Ethyl 4-hydroxycrotonate
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Technical Information
Catalog Number:
AA0002U8
Chemical Name:
Ethyl 4-hydroxycrotonate
CAS Number:
10080-68-9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD10566331
IUPAC Name:
ethyl (E)-4-hydroxybut-2-enoate
InChI:
InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h3-4,7H,2,5H2,1H3/b4-3+
InChI Key:
MKGMMNMIMLTXHO-ONEGZZNKSA-N
SMILES:
CCOC(=O)/C=C/CO
Properties
Computed Properties
 
Complexity:
107  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
Ethyl 4-hydroxycrotonate 
10080-68-9 
ZINC14444708 
AKOS006303360 
4-Hydroxy-2-butenoic acid ethyl ester 
FCH2614744 
(E)-4-Hydroxycrotonoic Acid Ethyl Ester 
BBV-43556694 
(E)-4-hydroxy-but-2-enoic acid ethyl ester 
ETHYL (2E)-4-HYDROXY-BUT-2-ENOATE 
2-Butenoic acid, 4-hydroxy-, ethyl ester, (2E)- 
Ethyl (E)-4-hydroxybut-2-enoate 
4-Hydroxycrotonic acid ethyl ester 
CID10606769 
(E)-4-Hydroxy-2-butenoic acid ethyl ester 
A1-00552 
ethyl 4-oxybutenoate 
SCHEMBL1405925 
SCHEMBL1405926 
MKGMMNMIMLTXHO-ONEGZZNKSA-N 
(E)-ethyl 4-hydroxybut-2-enoate 
FCH881073 
Literature
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