Home Other Building Blocks methyl 3,4-diformylbenzoate

methyl 3,4-diformylbenzoate

CAS No.:
15158-39-1
Catalog Number:
AG01BCSI
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
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Product Description
Catalog Number:
AG01BCSI
Chemical Name:
methyl 3,4-diformylbenzoate
CAS Number:
15158-39-1
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
MDL Number:
MFCD28064211
IUPAC Name:
methyl 3,4-diformylbenzoate
InChI:
InChI=1S/C10H8O4/c1-14-10(13)7-2-3-8(5-11)9(4-7)6-12/h2-6H,1H3
InChI Key:
CUFYRVCCQQFKFF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C=O)C=O
Properties
Complexity:
236  
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:
4  
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties