Name: Name:3-(3-methoxyphenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid
Brand: Angene
SKU: AG019KJ3
Rating: 90 (10 reviews)

3-(3-methoxyphenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid

CAS No.:

929972-63-4

Catalog Number:

AG019KJ3

Molecular Formula:

C12H12N4O3

Molecular Weight:

260.2487

Catalog Number:

AG019KJ3

Chemical Name:

3-(3-methoxyphenyl)-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid

CAS Number:

929972-63-4

Molecular Formula:

C12H12N4O3

Molecular Weight:

260.2487

MDL Number:

MFCD09040523

IUPAC Name:

3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)prop-2-enoic acid

InChI:

InChI=1S/C12H12N4O3/c1-8-13-14-15-16(8)11(12(17)18)7-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H,17,18)

InChI Key:

HAAJRTJVJZERNE-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)C=C(n1nnnc1C)C(=O)O

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.253g/mol

Monoisotopic Mass:

260.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8