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10080-68-9 | 2-Butenoic acid, 4-hydroxy-, ethyl ester, (2E)-
CAS No: 10080-68-9 Catalog No: AG0002X0 MDL No:
Product Description
Catalog Number:
AG0002X0
Chemical Name:
2-Butenoic acid, 4-hydroxy-, ethyl ester, (2E)-
CAS Number:
10080-68-9
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
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
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
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