Name: Name:3-{1-[(tert-butoxy)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid
Brand: Angene
SKU: AG01C502
Rating: 90 (10 reviews)

3-{1-[(tert-butoxy)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid

CAS No.:

1909358-91-3

Catalog Number:

AG01C502

Molecular Formula:

C12H15NO4

Molecular Weight:

237.2518

Catalog Number:

AG01C502

Chemical Name:

3-{1-[(tert-butoxy)carbonyl]-1H-pyrrol-2-yl}prop-2-enoic acid

CAS Number:

1909358-91-3

Molecular Formula:

C12H15NO4

Molecular Weight:

237.2518

MDL Number:

MFCD29763253

IUPAC Name:

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]prop-2-enoic acid

InChI:

InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h4-8H,1-3H3,(H,14,15)

InChI Key:

ZBTWJKYTBYYMDG-UHFFFAOYSA-N

SMILES:

OC(=O)C=Cc1cccn1C(=O)OC(C)(C)C

Complexity:

330

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.255g/mol

Monoisotopic Mass:

237.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9