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13168-99-5 | 2-Butenoic acid, 4-methoxy-, methyl ester, (2E)-
CAS No: 13168-99-5 Catalog No: AG000ZL3 MDL No:MFCD03789600
Product Description
Catalog Number:
AG000ZL3
Chemical Name:
2-Butenoic acid, 4-methoxy-, methyl ester, (2E)-
CAS Number:
13168-99-5
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD03789600
IUPAC Name:
methyl 4-methoxybut-2-enoate
InChI:
InChI=1S/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3
InChI Key:
JMXSTMJTPSFRNI-UHFFFAOYSA-N
SMILES:
COC/C=C/C(=O)OC
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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