Name: Name:3-(1-methylidene-3-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
Brand: Angene
SKU: AG019K4P
Rating: 90 (10 reviews)

3-(1-methylidene-3-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

CAS No.:

923120-68-7

Catalog Number:

AG019K4P

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

Catalog Number:

AG019K4P

Chemical Name:

3-(1-methylidene-3-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid

CAS Number:

923120-68-7

Molecular Formula:

C12H11NO3

Molecular Weight:

217.2206

MDL Number:

MFCD08444397

IUPAC Name:

3-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid

InChI:

InChI=1S/C12H11NO3/c1-8-9-4-2-3-5-10(9)12(16)13(8)7-6-11(14)15/h2-5H,1,6-7H2,(H,14,15)

InChI Key:

ZANURYXAIPKNMP-UHFFFAOYSA-N

SMILES:

OC(=O)CCN1C(=C)c2c(C1=O)cccc2

Complexity:

337

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.224g/mol

Monoisotopic Mass:

217.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1