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1782-53-2

1782-53-2 | 2-Propenoic acid, 3-(3,4-dioxo-1,5-cyclohexadien-1-yl)-, methyl ester

CAS No: 1782-53-2 Catalog No: AG0025U0 MDL No:

Product Description

Catalog Number:
AG0025U0
Chemical Name:
2-Propenoic acid, 3-(3,4-dioxo-1,5-cyclohexadien-1-yl)-, methyl ester
CAS Number:
1782-53-2
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
methyl 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)prop-2-enoate
InChI:
InChI=1S/C10H8O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6H,1H3
InChI Key:
ULSZENDMRBTYQF-UHFFFAOYSA-N
SMILES:
COC(=O)C=CC1=CC(=O)C(=O)C=C1

Properties

Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.2  

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