Name: Name:5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-2-carboxylic acid, E
Brand: Angene
SKU: AG01B6HY
Rating: 90 (10 reviews)

5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-2-carboxylic acid, E

CAS No.:

125812-00-2

Catalog Number:

AG01B6HY

Molecular Formula:

C9H8O5

Molecular Weight:

196.1568

Catalog Number:

AG01B6HY

Chemical Name:

5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]furan-2-carboxylic acid, E

CAS Number:

125812-00-2

Molecular Formula:

C9H8O5

Molecular Weight:

196.1568

MDL Number:

MFCD20654555

IUPAC Name:

5-(3-methoxy-3-oxoprop-1-enyl)furan-2-carboxylic acid

InChI:

InChI=1S/C9H8O5/c1-13-8(10)5-3-6-2-4-7(14-6)9(11)12/h2-5H,1H3,(H,11,12)

InChI Key:

LANQECYSYOJERH-UHFFFAOYSA-N

SMILES:

COC(=O)/C=C/c1ccc(o1)C(=O)O

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.158g/mol

Monoisotopic Mass:

196.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3